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_39
Name:2,5-Dichloro-1,4-benzenediamine
Description:
Labels:
CAS:20103-09-7
InChi Code:InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2

Properties

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

ValueSource or prediction
0.91

experimental value

2.17

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