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:	1473
	Name:	4,5,6,10,11-pentachloro-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: 2.3.4.6.7-pentachlorodibenzofuran
	Labels:
	CAS:	57117-43-8
	InChi Code:	InChI=1S/C12H3Cl5O/c13-6-2-1-4-5-3-7(14)8(15)10(17)12(5)18-11(4)9(6)16/h1-3H

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.900825461	experimental value
1.0902	Tab2.Model_5: Metab. biotransf. fish (Training set)