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:	942
	Name:	chrysen-6-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 6-Aminochrysene
	Labels:
	CAS:	2642-98-0
	InChi Code:	InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2

Properties

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

Value	Source or prediction
5.21	experimental value
4.522	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID70181017	US EPA CompTox Dashboard