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_18
Name:Phenol
Description:
Labels:
CAS:108-95-2
InChi Code:InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

Properties

pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]

ValueSource or prediction
0.58

experimental value

0.46

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

Links to External Resources