Current predictor: Aerobic biodegradation
Last update: June 26, 2022
Dataset used for model development (first 100)
Summary:
Total entries: 12750
Closed respirometer entries: 5375
CO2 evolution entries: 2818
Closed bottle test entries: 2549

Index | Substance name | CAS number | SMILES | Time (day) | Guideline | Principle | Endpoint | Reliability | Value |
---|---|---|---|---|---|---|---|---|---|
1 | Bubet | 407-64-7 | C[N+](C)(C)CCCC(=O)[O-] | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.98 |
2 | (3-aminopropyl)({[(3-aminopropyl)dimethylsilyl]oxy})dimethylsilane | 2469-55-8 | C[Si](C)(CCCN)O[Si](C)(C)CCCN | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.67 |
3 | 3-(dimethoxymethylsilyl)propyl methacrylate | 14513-34-9 | C=C(C)C(=O)OCCC[Si](C)(OC)OC | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.74 |
4 | 3-(trimethoxysilyl)propyl 2-methylprop-2-enoate | 2530-85-0 | C=C(C)C(=O)OCCC[Si](OC)(OC)OC | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.74 |
5 | 3-(triethoxysilyl)propyl 2-methylprop-2-enoate | 21142-29-0 | C=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.74 |
6 | 2-(tert-butylamino)ethyl 2-methylprop-2-enoate | 3775-90-4 | C=C(C)C(=O)OCCNC(C)(C)C | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.37 |
7 | 2-(tert-butylamino)ethyl 2-methylprop-2-enoate | 3775-90-4 | C=C(C)C(=O)OCCNC(C)(C)C | 24.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.48 |
8 | sodium 2-methylprop-2-ene-1-sulfonate | 1561-92-8 | C=C(C)CS(=O)(=O)[O-].[Na+] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.03 |
9 | bis(acetyloxy)(ethenyl)silyl acetate | 4130-08-9 | C=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.74 |
10 | tri(isopropoxy)vinylsilane | 18023-33-1 | C=C[Si](OC(C)C)(OC(C)C)OC(C)C | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.89 |
11 | Tris(2-methoxyethoxy)vinylsilane | 1067-53-4 | C=C[Si](OCCOC)(OCCOC)OCCOC | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.89 |
12 | sodium prop-2-enoate | 7446-81-3 | C=CC(=O)[O-].[Na+] | 9.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.95 |
13 | zinc(2+) ion bis(prop-2-enoate) | 14643-87-9 | C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2] | 9.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.95 |
14 | prop-2-enoic acid | 79-10-7 | C=CC(=O)O | 9.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.95 |
15 | tert-butyl prop-2-enoate | 1663-39-4 | C=CC(=O)OC(C)(C)C | 9.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.95 |
16 | 2-phenyl-4,5-dihydro-1H-imidazole | 936-49-2 | c1ccc(C2=[NH+]CCN2)cc1 | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.68 |
17 | 1,3,5,7-tetraazatricyclo[3.3.1.1³,⁷]decane | 100-97-0 | C1N2CN3CN1CN(C2)C3 | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.39 |
18 | 1,2,4-triazole | 288-88-0 | c1nc[nH]n1 | 24.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.16 |
19 | potassium acetate | 127-08-2 | CC(=O)[O-].[K+] | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.86 |
20 | potassium acetate | 127-08-2 | CC(=O)[O-].[K+] | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.91 |
21 | potassium acetate | 127-08-2 | CC(=O)[O-].[K+] | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.93 |
22 | potassium acetate | 127-08-2 | CC(=O)[O-].[K+] | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
23 | potassium acetate | 127-08-2 | CC(=O)[O-].[K+] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
24 | sodium acetate | 127-09-3 | CC(=O)[O-].[Na+] | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.86 |
25 | sodium acetate | 127-09-3 | CC(=O)[O-].[Na+] | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.91 |
26 | sodium acetate | 127-09-3 | CC(=O)[O-].[Na+] | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.93 |
27 | sodium acetate | 127-09-3 | CC(=O)[O-].[Na+] | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
28 | sodium acetate | 127-09-3 | CC(=O)[O-].[Na+] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
29 | ammonium acetate | 631-61-8 | CC(=O)[O-].[NH4+] | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.86 |
30 | ammonium acetate | 631-61-8 | CC(=O)[O-].[NH4+] | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.91 |
31 | ammonium acetate | 631-61-8 | CC(=O)[O-].[NH4+] | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.93 |
32 | ammonium acetate | 631-61-8 | CC(=O)[O-].[NH4+] | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
33 | ammonium acetate | 631-61-8 | CC(=O)[O-].[NH4+] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
34 | calcium diacetate | 62-54-4 | CC(=O)[O-].CC(=O)[O-].[Ca+2] | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.86 |
35 | calcium diacetate | 62-54-4 | CC(=O)[O-].CC(=O)[O-].[Ca+2] | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.91 |
36 | calcium diacetate | 62-54-4 | CC(=O)[O-].CC(=O)[O-].[Ca+2] | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.93 |
37 | calcium diacetate | 62-54-4 | CC(=O)[O-].CC(=O)[O-].[Ca+2] | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
38 | calcium diacetate | 62-54-4 | CC(=O)[O-].CC(=O)[O-].[Ca+2] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
39 | magnesium(2+) diacetate | 142-72-3 | CC(=O)[O-].CC(=O)[O-].[Mg+2] | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.86 |
40 | magnesium(2+) diacetate | 142-72-3 | CC(=O)[O-].CC(=O)[O-].[Mg+2] | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.91 |
41 | magnesium(2+) diacetate | 142-72-3 | CC(=O)[O-].CC(=O)[O-].[Mg+2] | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.93 |
42 | magnesium(2+) diacetate | 142-72-3 | CC(=O)[O-].CC(=O)[O-].[Mg+2] | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
43 | magnesium(2+) ion diacetate | 142-72-3 | CC(=O)[O-].CC(=O)[O-].[Mg+2] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
44 | zinc(2+) diacetate | 557-34-6 | CC(=O)[O-].CC(=O)[O-].[Zn+2] | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.86 |
45 | zinc(2+) diacetate | 557-34-6 | CC(=O)[O-].CC(=O)[O-].[Zn+2] | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.91 |
46 | zinc(2+) diacetate | 557-34-6 | CC(=O)[O-].CC(=O)[O-].[Zn+2] | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.93 |
47 | zinc(2+) diacetate | 557-34-6 | CC(=O)[O-].CC(=O)[O-].[Zn+2] | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
48 | zinc(2+) ion diacetate | 557-34-6 | CC(=O)[O-].CC(=O)[O-].[Zn+2] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
49 | sodium hydrogen diacetate | 126-96-5 | CC(=O)O.CC(=O)[O-].[Na+] | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.86 |
50 | sodium hydrogen diacetate | 126-96-5 | CC(=O)O.CC(=O)[O-].[Na+] | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.91 |
51 | sodium hydrogen diacetate | 126-96-5 | CC(=O)O.CC(=O)[O-].[Na+] | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.93 |
52 | sodium hydrogen diacetate | 126-96-5 | CC(=O)O.CC(=O)[O-].[Na+] | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.99 |
53 | sodium hydrogen diacetate | 126-96-5 | CC(=O)O.CC(=O)[O-].[Na+] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.99 |
54 | bis(acetyloxy)(methyl)silyl acetate | 4253-34-3 | CC(=O)O[Si](C)(OC(C)=O)OC(C)=O | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.74 |
55 | 4-tert-butylphenol | 98-54-4 | CC(C)(C)c1ccc(O)cc1 | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.98 |
56 | 2-tert-butylphenol | 88-18-6 | CC(C)(C)c1ccccc1O | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.98 |
57 | 2-methylpropan-2-ol | 75-65-0 | CC(C)(C)O | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.99 |
58 | 2,2,4-trimethylhexanedioic acid; 2,4,4-trimethylhexanedioic acid | 53445-37-7 | CC(CC(=O)O)CC(C)(C)C(=O)O | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.25 |
59 | 2,2,4-trimethylhexanedioic acid; 2,4,4-trimethylhexanedioic acid | 53445-37-7 | CC(CC(=O)O)CC(C)(C)C(=O)O | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.44 |
60 | 2,2,4-trimethylhexanedioic acid; 2,4,4-trimethylhexanedioic acid | 53445-37-7 | CC(CC(=O)O)CC(C)(C)C(=O)O | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.56 |
61 | 2,2,4-trimethylhexanedioic acid; 2,4,4-trimethylhexanedioic acid | 53445-37-7 | CC(CC(=O)O)CC(C)(C)C(=O)O | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.73 |
62 | 2,2,4-trimethylhexane-1,6-diamine | 25513-64-8 | CC(CCN)CC(C)(C)CN | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.07 |
63 | bis(acetyloxy)(ethyl)silyl acetate | 17689-77-9 | CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.74 |
64 | 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine | 2855-13-2 | CC1(C)CC(N)CC(C)(CN)C1.Cc1ccc(S(=O)(=O)O)cc1 | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.08 |
65 | N1,N6-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine | 61260-55-7 | CC1(C)CC(NCCCCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.13 |
66 | 4-hydroxy-2,2,6,6-tetramethylpiperidinoxyl | 2226-96-2 | CC1(C)CC(O)CC(C)(C)N1[O] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.09 |
67 | 3,5,5-trimethylcyclohex-2-en-1-one | 78-59-1 | CC1=CC(=O)CC(C)(C)C1 | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.95 |
68 | 3,5-dimethylaniline | 108-69-0 | Cc1cc(C)cc(N)c1 | 20.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.25 |
69 | 3,5-dimethylaniline | 108-69-0 | Cc1cc(C)cc(N)c1 | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.95 |
70 | Trisodium bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]cobaltate(3-) | 84204-70-6 | Cc1nn(-c2ccccc2)c2c1/N=N/c1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1O[Co-]1(Oc3c(cc([N+](=O)[O-])cc3S(=O)(=O)[O-])/N=N/c3c(C)nn(-c4ccccc4)c3O1)O2.[Na+].[Na+].[Na+] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.0 |
71 | 5-methylisoxazole-4-carboxylic acid | 42831-50-5 | Cc1oncc1C(=O)[O-] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.9 |
72 | 2-(2-methylbutan-2-yl)phenol | 3279-27-4 | CCC(C)(C)c1ccccc1O | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 2 | 0.98 |
73 | sodium [(2-methylpropoxy)methanethioyl]sulfanide | 25306-75-6 | CCC(C)OC(=S)S.[Na+] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.9770000000000001 |
74 | trichloro(propyl)silane | 141-57-1 | CCC[Si](Cl)(Cl)Cl | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.5 |
75 | trichloro(propyl)silane | 141-57-1 | CCC[Si](Cl)(Cl)Cl | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.54 |
76 | trichloro(propyl)silane | 141-57-1 | CCC[Si](Cl)(Cl)Cl | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.54 |
77 | trichloro(propyl)silane | 141-57-1 | CCC[Si](Cl)(Cl)Cl | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.55 |
78 | trichloro(propyl)silane | 141-57-1 | CCC[Si](Cl)(Cl)Cl | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.55 |
79 | trimethoxy(propyl)silane | 1067-25-0 | CCC[Si](OC)(OC)OC | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.5 |
80 | trimethoxy(propyl)silane | 1067-25-0 | CCC[Si](OC)(OC)OC | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.54 |
81 | trimethoxy(propyl)silane | 1067-25-0 | CCC[Si](OC)(OC)OC | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.54 |
82 | trimethoxy(propyl)silane | 1067-25-0 | CCC[Si](OC)(OC)OC | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.55 |
83 | trimethoxy(propyl)silane | 1067-25-0 | CCC[Si](OC)(OC)OC | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.55 |
84 | sodium 2-ethylhexyl sulfate | 126-92-1 | CCCCC(CC)COS(=O)(=O)[O-].[Na+] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.97 |
85 | hexyltrimethoxysilane | 3069-19-0 | CCCCCC[Si](OC)(OC)OC | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.5 |
86 | hexyltrimethoxysilane | 3069-19-0 | CCCCCC[Si](OC)(OC)OC | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.54 |
87 | hexyltrimethoxysilane | 3069-19-0 | CCCCCC[Si](OC)(OC)OC | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.54 |
88 | hexyltrimethoxysilane | 3069-19-0 | CCCCCC[Si](OC)(OC)OC | 14.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.55 |
89 | hexyltrimethoxysilane | 3069-19-0 | CCCCCC[Si](OC)(OC)OC | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.55 |
90 | 4-(tridecan-3-yl)benzene-1-sulfonic acid | 85536-14-7 | CCCCCCCCCCCCc1ccccc1.CS(=O)(=O)O | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.94 |
91 | 3-(chlorodimethylsilyl)propyl 2-methylprop-2-enoate | 24636-31-5 | CCCOC(=O)/C(C)=C/[Si](C)(C)Cl | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.74 |
92 | tetrasodium 5-({4-chloro-6-[ethyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-3-[(E)-2-(1,5-disulfonatonaphthalen-2-yl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate | 130201-57-9 | CCN(c1ccccc1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4ccc5c(S(=O)(=O)[O-])cccc5c4S(=O)(=O)[O-])c(O)c23)n1.[Na+].[Na+].[Na+].[Na+] | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.0 |
93 | triethoxy(methyl)silane | 2031-67-6 | CCO[Si](C)(OCC)OCC | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.74 |
94 | (3-aminopropyl)triethoxysilane | 919-30-2 | CCO[Si](CCCN)(OCC)OCC | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.67 |
95 | (2-aminoethyl)[3-(triethoxysilyl)propyl]amine | 5089-72-5 | CCO[Si](CCCNCCN)(OCC)OCC | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.39 |
96 | tetraethyl silicate | 78-10-4 | CCO[Si](OCC)(OCC)OCC | 28.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.98 |
97 | ethyl 2-(4-hydroxyphenoxy)propanoate | 71301-98-9 | CCOC(=O)[C@@H](C)Oc1ccc(O)cc1 | 15.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.175 |
98 | ethyl 2-(4-hydroxyphenoxy)propanoate | 71301-98-9 | CCOC(=O)[C@@H](C)Oc1ccc(O)cc1 | 7.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.251 |
99 | ethyl 2-(4-hydroxyphenoxy)propanoate | 71301-98-9 | CCOC(=O)[C@@H](C)Oc1ccc(O)cc1 | 21.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.698 |
100 | ethyl 2-(4-hydroxyphenoxy)propanoate | 71301-98-9 | CCOC(=O)[C@@H](C)Oc1ccc(O)cc1 | 27.0 | EU Method C.4-A | DOC Die Away | Ready | 1 | 0.938 |
Note:
Above table shows the first 100 entries of the dataset.
We are continuously increasing our dataset to improve the prediction accuracy.