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:5
Name:4,4'-Methylenebis(2-chloroaniline)
Description:
Labels:
CAS:101-14-4
InChi Code:InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2

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
30.374841

experimental value

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