Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1588
	Name:	6-nitrochrysene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 6-Nitrochrysene The representation of nitro groups was fixed
	Labels:
	CAS:	7496-02-8
	InChi Code:	InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H

Properties

M8.logTA100: The mutagenicity potency in TA100 (without the S9 activation system) as log(TA100)

Value	Source or prediction
2.21	experimental value
2.8779	Tab2.Model_8: NitroPAH TA100 without S9 (Training set)

Links to External Resources

Link	Resource description
DTXSID9075454	US EPA CompTox Dashboard