10967/195 - QDB Compounds

QsarDB Repository

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)]

ValueSource or prediction
1.33

experimental value

1.11

Eq.3: Model for aromatic amines and phenols (fish) (Training set)