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_76 | |
|---|---|---|
| Name: | Phenol, 4,4'-(1-methylethylidene)bis 2,6-dibromo- | |
| Description: | ||
| Labels: | ||
| CAS: | 79-94-7 | |
| InChi Code: | InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.77 |
experimental value |
| 2.98 |
Eq.3: Model for aromatic amines and phenols (fish) (Training set) |