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:	749
	Name:	(1R,2S,3R,4S)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorendic acid
	Labels:
	CAS:	115-28-6
	InChi Code:	InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)/t1-,2+,7+,8-

Properties

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

Value	Source or prediction
2.79	experimental value
2.465	Tab2.Model_2: logKoc (Training set)