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:	1580
	Name:	2-nitropyrene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Nitropyrene The representation of nitro groups was fixed
	Labels:
	CAS:	789-07-1
	InChi Code:	InChI=1S/C16H9NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID30229368	US EPA CompTox Dashboard