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:	690
	Name:	1-(naphthalen-2-yl)ethan-1-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Acetonaphthalene
	Labels:
	CAS:	93-08-3
	InChi Code:	InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3

Properties

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

Value	Source or prediction
2.93	experimental value
2.6459	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID2041389	US EPA CompTox Dashboard