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:	1089
	Name:	ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenoxaprop-Ethyl
	Labels:
	CAS:	66441-23-4
	InChi Code:	InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1

Properties

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

Value	Source or prediction
3.98	experimental value
4.2838	Tab2.Model_2: logKoc (Training set)