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:	914
	Name:	(2S)-but-3-yn-2-yl N-(3-chlorophenyl)carbamate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorbufam
	Labels:
	CAS:	1967-16-4
	InChi Code:	InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)/t8-/m0/s1

Properties

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

Value	Source or prediction
2.21	experimental value
2.1472	Tab2.Model_2: logKoc (Training set)