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: | Tab1_6 | |
|---|---|---|
| Name: | Benzenamine, 4,4'-methylenebis2-chloro- | |
| Description: | ||
| Labels: | ||
| CAS: | 101-14-4 | |
| InChi Code: | InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 2.64 |
experimental value |
| 2.11 |
Eq.3: Model for aromatic amines and phenols (fish) (Training set) |