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_66 | |
|---|---|---|
| Name: | Styrenated phenol | |
| Description: | Name/CAS corresponds to a mixture of isomers, the InChI is generated from a SMILES structure used in the article | |
| Labels: | ||
| CAS: | 61788-44-1 | |
| InChi Code: | InChI=1S/C8H8O/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H2 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.33 |
experimental value |
| 1.11 |
Eq.3: Model for aromatic amines and phenols (fish) (Training set) |