10967/142 - QDB Compounds

QsarDB Repository

Franke, R.; Gruska, A.; Giuliani, A.; Benigni, R. Prediction of rodent carcinogenicity of aromatic amines: a quantitative structure-activity relationships model. Carcinogenesis 2001, 22, 1561–1571.

Compound

ID:31
Name:3-Chloro-p-toluidine
Description:
Labels:
CAS:95-74-9
InChi Code:InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3

Properties

Carcinogenicity: Class: C - Carcinogenic, nC -non-Carcinogenic

ValueSource or prediction
nC

experimental value

C

Eq.5: Carcinogenic class of aromatic amines (Training set.)

Potency: Carcinogenic potency as log(MW/TD50) [log((mol/kg)/TD50)]

ValueSource or prediction
29.108589

experimental value

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