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.