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:60
Name:m-Toluidine hydrochloride
Description:Changed name form the original m-Toluidine · HCl to m-Toluidine hydrochloride. The authors most likely used the cation for the calculations.
Labels:
CAS:638-03-9
InChi Code:InChI=1S/C7H9N.ClH/c1-6-3-2-4-7(8)5-6;/h2-5H,8H2,1H3;1H

Properties

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

ValueSource or prediction
C

experimental value

nC

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

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

ValueSource or prediction
28.157319

experimental value

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