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:	1517
	Name:	3,4,5,6,10,11-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: 1.2.3.4.6.7-hexachlorodibenzofuran
	Labels:
	CAS:	79060-60-9
	InChi Code:	InChI=1S/C12H2Cl6O/c13-4-2-1-3-5-7(15)8(16)9(17)10(18)12(5)19-11(3)6(4)14/h1-2H

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.430825461	experimental value
1.242	Tab2.Model_5: Metab. biotransf. fish (Training set)