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_61
Name:Phenol, 2,3,4,6-tetrachloro-
Description:
Labels:
CAS:58-90-2
InChi Code:InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H

Properties

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

ValueSource or prediction
2.62

experimental value

2.23

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

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