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:	698
	Name:	2-(4-chloro-2-methylphenoxy)acetic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: MCPA
	Labels:
	CAS:	94-74-6
	InChi Code:	InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

Properties

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

Value	Source or prediction
1.73	experimental value
2.2942	Tab2.Model_2: logKoc (Training set)