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: | 15 | |
|---|---|---|
| Name: | 2-Chloro-p-phenylenediamine sulphate | |
| Description: | The authors most likely used the cation for the calculations. | |
| Labels: | ||
| CAS: | 61702-44-1 | |
| InChi Code: | InChI=1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4) |
Properties
Carcinogenicity: Class: C - Carcinogenic, nC -non-Carcinogenic
| Value | Source or prediction |
|---|---|
| nC |
experimental value |
| nC |
Eq.5: Carcinogenic class of aromatic amines (Training set.) |
Potency: Carcinogenic potency as log(MW/TD50) [log((mol/kg)/TD50)]
| Value | Source or prediction |
|---|---|
| 27.574515 |
experimental value |