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:	1474
	Name:	3,4,5,10,11,12-hexachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.6.7.8-hexachlorodibenzofuran
	Labels:
	CAS:	57117-44-9
	InChi Code:	InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.000825461	experimental value
1.2661	Tab2.Model_5: Metab. biotransf. fish (Training set)