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_3 | |
|---|---|---|
| Name: | 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea | |
| Description: | ||
| Labels: | ||
| CAS: | 101-20-2 | |
| InChi Code: | InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19) |
Properties
pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 3.82 |
experimental value |
| 3.87 |
Eq.4: Model for aromatic amines and phenols (algae) (Training set) |