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:	866
	Name:	1-(anthracen-9-yl)ethan-1-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 9-Acetylanthracene
	Labels:
	CAS:	784-04-3
	InChi Code:	InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3

Properties

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

Value	Source or prediction
3.58	experimental value
3.4374	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID90229061	US EPA CompTox Dashboard