Current predictor: Aerobic biodegradation

Last update: October 22, 2021
Dataset used for model development
Download the complete dataset  

Summary:
Total entries: 3454
Readily biodegradable entries (class 1): 1459
Not readily biodegradable entries (class 0): 1995

Index Substance name CAS number SMILES Class
1 8-methylnonyl methacrylate 29964-84-9 C=C(C)C(=O)OCCCCCCCC(C)C 1
2 3,7-dimethyloct-6-en-1-yl 2-methylpropanoate 97-89-2 CC(C)=CCCC(C)CCOC(=O)C(C)C 1
3 (2E)-3,7-dimethylocta-2,6-dien-1-yl formate 105-86-2 CC(C)=CCC/C(C)=C/COC=O 1
4 11-methyldodecyl 2-methylprop-2-enoate 85736-97-6 C=C(C)C(=O)OCCCCCCCCCCC(C)C 1
5 (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate 105-90-8 CCC(=O)OC/C=C(\C)CCC=C(C)C 1
6 3,7-dimethyloct-6-en-1-yl acetate 150-84-5 CC(=O)OCCC(C)CCC=C(C)C 1
7 (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate 16409-44-2 CC(=O)OC/C=C(\C)CCC=C(C)C 1
8 2-methylnonyl 2-methylprop-2-enoate 29964-84-9 C=C(C)C(=O)OCCCCCCCC(C)C 1
9 3,7-dimethyloct-6-en-1-yl butyrate 141-16-2 CCCC(=O)OCCC(C)CCC=C(C)C 1
10 8-methylnonyl methacrylate 29964-84-9 C=C(C)C(=O)OCCCCCCCC(C)C 1
11 3,7-dimethyloct-6-en-1-yl formate 105-85-1 CC(C)=CCCC(C)CCOC=O 1
12 3,7-dimethyloct-6-en-1-yl (2E)-2-methylbut-2-enoate 24717-85-9 C/C=C(\C)C(=O)OCCC(C)CCC=C(C)C 1
13 (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate 141-12-8 CC(=O)OC/C=C(/C)CCC=C(C)C 1
14 3,7-dimethyloct-6-en-1-yl acetate 150-84-5 CC(=O)OCCC(C)CCC=C(C)C 1
15 3,7-dimethyloct-6-en-1-yl acetate 150-84-5 CC(=O)OCCC(C)CCC=C(C)C 1
16 (-)-3,7-dimethyloct-6-enyl acetate 67601-05-2 CC(=O)OCCC(C)CCC=C(C)C 1
17 (2E)-3,7-dimethylocta-2,6-dien-1-yl propanoate 105-90-8 CCC(=O)OC/C=C(\C)CCC=C(C)C 1
18 8-ethyl-10,12-diheptyl-9,11,13-trimethylhenicosane; 8-ethyl-10-heptyl-9,11-dimethylnonadecane 68037-01-4 C=CCCCCCCCC 0
19 8-ethyl-10,12-diheptyl-9,11,13-trimethylhenicosane; 8-ethyl-10-heptyl-9,11-dimethylnonadecane 68037-01-4 C=CCCCCCCCC 0
20 oct-1-ene 111-66-0 C=CCCCCCC 0
21 dec-1-ene 872-05-9 C=CCCCCCCCC 0
22 dodec-1-ene 112-41-4 C=CCCCCCCCCCC 0
23 tetradec-1-ene 1120-36-1 C=CCCCCCCCCCCCC 0
24 hexadec-1-ene 26952-14-7 C=CCCCCCCCCCCCCCC 0
25 hexadec-1-ene 629-73-2 C=CCCCCCCCCCCCCCC 0
26 octadec-1-ene 112-88-9 C=CCCCCCCCCCCCCCCCC 0
27 oct-1-ene 111-66-0 C=CCCCCCC 0
28 dec-1-ene 872-05-9 C=CCCCCCCCC 0
29 dodec-1-ene 112-41-4 C=CCCCCCCCCCC 0
30 tetradec-1-ene 1120-36-1 C=CCCCCCCCCCCCC 0
31 hexadec-1-ene 26952-14-7 C=CCCCCCCCCCCCCCC 0
32 hexadec-1-ene 629-73-2 C=CCCCCCCCCCCCCCC 0
33 octadec-1-ene 112-88-9 C=CCCCCCCCCCCCCCCCC 0
34 oct-1-ene 111-66-0 C=CCCCCCC 0
35 dec-1-ene 872-05-9 C=CCCCCCCCC 0
36 dodec-1-ene 112-41-4 C=CCCCCCCCCCC 0
37 tetradec-1-ene 1120-36-1 C=CCCCCCCCCCCCC 0
38 hexadec-1-ene 26952-14-7 C=CCCCCCCCCCCCCCC 0
39 hexadec-1-ene 629-73-2 C=CCCCCCCCCCCCCCC 0
40 octadec-1-ene 112-88-9 C=CCCCCCCCCCCCCCCCC 0
41 1-Hexadecene 629-73-2 C=CCCCCCCCCCCCCCC 1
42 octadec-1-ene 112-88-9 C=CCCCCCCCCCCCCCCCC 1
43 tetradec-1-ene 1120-36-1 C=CCCCCCCCCCCCC 1
44 hexadec-1-ene 26952-14-7 C=CCCCCCCCCCCCCCC 1
45 hexadec-1-ene 629-73-2 C=CCCCCCCCCCCCCCC 1
46 oct-1-ene 111-66-0 C=CCCCCCC 1
47 dec-1-ene 872-05-9 C=CCCCCCCCC 1
48 dodec-1-ene 112-41-4 C=CCCCCCCCCCC 1
49 oct-1-ene 111-66-0 C=CCCCCCC 1
50 dec-1-ene 872-05-9 C=CCCCCCCCC 1
51 dodec-1-ene 112-41-4 C=CCCCCCCCCCC 1
52 tetradec-1-ene 1120-36-1 C=CCCCCCCCCCCCC 1
53 hexadec-1-ene 26952-14-7 C=CCCCCCCCCCCCCCC 1
54 hexadec-1-ene 629-73-2 C=CCCCCCCCCCCCCCC 1
55 octadec-1-ene 112-88-9 C=CCCCCCCCCCCCCCCCC 1
56 oct-1-ene 111-66-0 C=CCCCCCC 1
57 dec-1-ene 872-05-9 C=CCCCCCCCC 1
58 dodec-1-ene 112-41-4 C=CCCCCCCCCCC 1
59 tetradec-1-ene 1120-36-1 C=CCCCCCCCCCCCC 1
60 hexadec-1-ene 26952-14-7 C=CCCCCCCCCCCCCCC 1
61 hexadec-1-ene 629-73-2 C=CCCCCCCCCCCCCCC 1
62 octadec-1-ene 112-88-9 C=CCCCCCCCCCCCCCCCC 1
63 4-[(E)-2-{3-[(E)-2-(2,4-diazaniumylphenyl)diazen-1-yl]phenyl}diazen-1-yl]benzene-1,3-bis(aminium) tetraacetate 84281-74-3 CC(=O)C(/N=N/c1ccc(-c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccccc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1 0
64 2-[(E)-2-(2,5-dichloro-4-{2,5-dichloro-4-[(E)-2-{1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]phenyl}phenyl)diazen-1-yl]-N-(2,4-dimethylphenyl)-3-oxobutanamide 22094-93-5 CC(=O)C(N=Nc1cc(Cl)c(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1Cl)C(=O)Nc1ccc(C)cc1C 0
65 2-[(E)-2-(2-chloro-4-{3-chloro-4-[(E)-2-{1-[(4-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]phenyl}phenyl)diazen-1-yl]-N-(4-methylphenyl)-3-oxobutanamide 6358-37-8 CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1 0
66 2-[(E)-2-(2-chloro-4-{3-chloro-4-[(E)-2-{1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]phenyl}phenyl)diazen-1-yl]-N-(2,4-dimethylphenyl)-3-oxobutanamide 5102-83-0 CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C 0
67 2-{2-[2-chloro-4-(3-chloro-4-{2-[2-oxo-1-(phenylcarbamoyl)propyl]diazen-1-yl}phenyl)phenyl]diazen-1-yl}-3-oxo-N-phenylbutanamide 6358-85-6 CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1 0
68 2-[(E)-2-{3,3'-dichloro-4'-[(E)-2-{1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]-N-(2-methylphenyl)-3-oxobutanamide 5468-75-7 CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1C 0
69 Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2-methylphenyl)-3-oxo- 5468-75-7 CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1C 0
70 Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][3-[4-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-nitrophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, hydrogen 72928-87-1 CC(=O)C(/N=N/c1ccc(-c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccccc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1 0
71 2-[(E)-2-(2,5-dichloro-4-{2,5-dichloro-4-[(E)-2-{1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]phenyl}phenyl)diazen-1-yl]-N-(2,4-dimethylphenyl)-3-oxobutanamide 22094-93-5 CC(=O)C(N=Nc1cc(Cl)c(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1Cl)C(=O)Nc1ccc(C)cc1C 0
72 2-[(E)-2-(2-chloro-4-{3-chloro-4-[(E)-2-{1-[(4-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]phenyl}phenyl)diazen-1-yl]-N-(4-methylphenyl)-3-oxobutanamide 6358-37-8 CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1 0
73 2-[(E)-2-(2-chloro-4-{3-chloro-4-[(E)-2-{1-[(2,4-dimethylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]phenyl}phenyl)diazen-1-yl]-N-(2,4-dimethylphenyl)-3-oxobutanamide 5102-83-0 CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccc(C)cc1C 0
74 2-[2-(3,3'-dichloro-4'-{2-[2-oxo-1-(phenylcarbamoyl)propyl]diazen-1-yl}-[1,1'-biphenyl]-4-yl)diazen-1-yl]-3-oxo-N-phenylbutanamide 6358-85-6 CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1 0
75 2-[(E)-2-{3,3'-dichloro-4'-[(E)-2-{1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]-N-(2-methylphenyl)-3-oxobutanamide 5468-75-7 CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccccc3C)c(Cl)c2)cc1Cl)C(=O)Nc1ccccc1C 0
76 3-methylbutyl 3-methylbutanoate 659-70-1 CC(C)CCOC(=O)CC(C)C 0
77 3-methylbutyl propanoate 105-68-0 CCC(=O)OCCC(C)C 0
78 Isotridecyl isononanoate 42131-27-1 CC(C)CCCCCCCCCCOC(=O)CCCCCC(C)C 0
79 3-methylbutyl propanoate 105-68-0 CCC(=O)OCCC(C)C 1
80 3-methylbutyl 3-methylbutanoate 659-70-1 CC(C)CCOC(=O)CC(C)C 1
81 Isooctyl palmitate 1341-38-4 CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C 1
82 7-methyloctyl acetate 40379-24-6 CC(=O)OCCCCCCC(C)C 1
83 3-methylbutyl propanoate 105-68-0 CCC(=O)OCCC(C)C 1
84 3,7-dimethyloctyl acetate 20780-49-8 CC(=O)OCCC(C)CCCC(C)C 1
85 3-methylbutyl dodecanoate 6309-51-9 CCCCCCCCCCCC(=O)OCCC(C)C 1
86 Phenol, 2,4,6-tris(1,1-dimethylethyl)- 732-26-3 CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 0
87 Phenol, 2,4-bis(1,1-dimethylethyl)- 96-76-4 CC(C)(C)c1ccc(O)c(C(C)(C)C)c1 0
88 Phenol, 2,6-bis(1,1-dimethylethyl)- 128-39-2 CC(C)(C)c1cccc(C(C)(C)C)c1O 0
89 Phenol, 2-(1,1-dimethylethyl)- 88-18-6 CC(C)(C)c1ccccc1O 0
90 2-tert-butyl-4,6-dimethylphenol 1879-09-0 Cc1cc(C)c(O)c(C(C)(C)C)c1 0
91 2-tert-butyl-4-methylphenol 2409-55-4 Cc1ccc(O)c(C(C)(C)C)c1 0
92 Phenol, 2-(1,1-dimethylethyl)-4-methyl- 2409-55-4 Cc1ccc(O)c(C(C)(C)C)c1 0
93 Phenol, 2-(1,1-dimethylethyl)-5-methyl- 88-60-8 Cc1ccc(C(C)(C)C)c(O)c1 0
94 2,6-di-tert-butyl-4-methylphenol 128-37-0 Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 0
95 2,6-di-tert-butylphenol 128-39-2 CC(C)(C)c1cccc(C(C)(C)C)c1O 0
96 2-tert-butyl-4,6-dimethylphenol 1879-09-0 Cc1cc(C)c(O)c(C(C)(C)C)c1 0
97 Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl- 1879-09-0 Cc1cc(C)c(O)c(C(C)(C)C)c1 0
98 Phenol, 2-(1,1-dimethylethyl)-6-methyl- 2219-82-1 Cc1cccc(C(C)(C)C)c1O 0
99 2-tert-butylphenol 88-18-6 CC(C)(C)c1ccccc1O 0
100 2-ethyl-2-[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl bis(isooctadecanoate) 68541-50-4 CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C 1

Note: 
Above table only shows the first 100 entries of the dataset used to build this model.
To access the complete dataset, please click on the "Download the complete dataset" on the top right corner to download the original file.