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:	883
	Name:	(1S,2S,3R,5R,6S,7R,8R)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.0²,⁷.0³,⁵]undec-9-ene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.4.5.6.7.7-Heptachloro-1a.1b.5.5a.6.6a.-hexahydro-(2a alpha. 1b beta. 2 alpha. 5 alpha. 5a beta. 6 beta. 6a alpha-2.5-methano-2H-indeno[1.2-b]oxirene
	Labels:
	CAS:	1024-57-3
	InChi Code:	InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4-,5+,8-,9+/m1/s1

Properties

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

Value	Source or prediction
4.02	experimental value
3.7137	Tab2.Model_2: logKoc (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.200825461	experimental value
1.3733	Tab2.Model_5: Metab. biotransf. fish (Training set)