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:H
Name:2,4,6-trichlorophenylhydrazine
Description:
Labels:
CAS:5329-12-4
InChi Code:InChI=1S/C6H5Cl3N2/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2,11H,10H2

Properties

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

ValueSource or prediction
2.33

experimental value

2.34

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

pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]

ValueSource or prediction
3.4

experimental value

2.51

Eq.4: Model for aromatic amines and phenols (algae) (Validation set)