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:	635
	Name:	7,12-dimethyltetraphene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 7,12-Dimethylbenz[a]anthracene
	Labels:
	CAS:	57-97-6
	InChi Code:	InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
5.36	experimental value
5.4648	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID1020510	US EPA CompTox Dashboard