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:	1548
	Name:	2,4,7-trinitro-9H-fluoren-9-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4,7-Trinitro-9-fluorenone The representation of nitro groups was fixed
	Labels:
	CAS:	129-79-3
	InChi Code:	InChI=1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H

Properties

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

Value	Source or prediction
2.27	experimental value
2.7811	Tab2.Model_8: NitroPAH TA100 without S9 (Training set)

Links to External Resources

Link	Resource description
DTXSID1026245	US EPA CompTox Dashboard