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_50 | |
|---|---|---|
| Name: | 4-(1-Methylvinyl)phenol | |
| Description: | ||
| Labels: | ||
| CAS: | 4286-23-1 | |
| InChi Code: | InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.16 |
experimental value |
| 1.25 |
Eq.3: Model for aromatic amines and phenols (fish) (Training set) |