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:	1109
	Name:	ethyl 2-({[(4-chloro-6-methoxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulfonyl)benzoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorimuron ethyl
	Labels:
	CAS:	90982-32-4
	InChi Code:	InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)

Properties

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

Value	Source or prediction
2.04	experimental value
2.571	Tab2.Model_2: logKoc (Training set)