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:7
Name:2-Biphenylamine hydrochloride
Description:Changed name from the original 2-Biphenylamine · HCl to 2-Biphenylamine hydrochloride. The authors most likely used the cation for the calculations.
Labels:
CAS:2185-92-4
InChi Code:InChI=1S/C12H11N.ClH/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9H,13H2;1H

Properties

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

ValueSource or prediction
C

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
32.495717

experimental value

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