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:	394
	Name:	1,2,3,4,5,6-Hexachlorocyclohexane
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyclohexane. 1.2.3.4.5.6-hexachloro-. (1a.2a.3B.4a.5a.6B)-
	Labels:
	CAS:	58-89-9
	InChi Code:	InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+

Properties

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

Value	Source or prediction
3	experimental value
3.5372	Tab2.Model_2: logKoc (Training set)

M3.GHLI: Global half-life index i

Value	Source or prediction
3.09125	experimental value
2.7672	Tab2.Model_3: Global half-life index (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.596825461	experimental value
1.4149	Tab2.Model_5: Metab. biotransf. fish (Training set)