10967/197 - QDB Compounds

QsarDB Repository

Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

Compound

ID:778
Name:Benzeneamine, 4-nitro-N-(4-nitrophenyl)-N-phenyl-
Description:
Labels:
CAS:
InChi Code:InChI=1S/C18H13N3O4/c22-20(23)17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(13-9-16)21(24)25/h1-13H

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
7.5

experimental value

6.8

Eq.1: Model for diverse and pure compounds (Training set)