Furuhama, A.; Hasunuma, K.; Aoki, Y. Interspecies quantitative structure–activity–activity relationships (QSAARs) for prediction of acute aquatic toxicity of aromatic amines and phenols. SAR QSAR Environ. Res. 2015, 26, 301–323.
Compound
| ID: | Tab2_83 | |
|---|---|---|
| Name: | 1,1'-Biphenyl-4,4'-diamine, 3,3'-dichloro- | |
| Description: | ||
| Labels: | ||
| CAS: | 91-94-1 | |
| InChi Code: | InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2 |
Properties
pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 2.26 |
experimental value |
| 1.96 |
Eq.4: Model for aromatic amines and phenols (algae) (Training set) |