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:	1029
	Name:	(2R)-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethofumesate
	Labels:
	CAS:	26225-79-6
	InChi Code:	InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/t12-/m1/s1

Properties

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

Value	Source or prediction
2.05	experimental value
2.8586	Tab2.Model_2: logKoc (Training set)