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:	840
	Name:	anthracen-2-amine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Aminoanthracene
	Labels:
	CAS:	613-13-8
	InChi Code:	InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2

Properties

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

Value	Source or prediction
4.45	experimental value
3.6676	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID2024458	US EPA CompTox Dashboard