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_42 | |
|---|---|---|
| Name: | Butylated hydroxyanisole | |
| Description: | Name/CAS corresponds to a mixture of isomers, the InChI is generated from a SMILES structure used in the article | |
| Labels: | ||
| CAS: | 25013-16-5 | |
| InChi Code: | InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3 |
Properties
pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 1.54 |
experimental value |
| 1.6 |
Eq.4: Model for aromatic amines and phenols (algae) (Training set) |