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:	937
	Name:	Perchloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Mirex
	Labels:
	CAS:	2385-85-5
	InChi Code:	InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18/t1-,2+,3+,4-,5+,6-,7-,8+

Properties

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

Value	Source or prediction
6	experimental value
5.6873	Tab2.Model_2: logKoc (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.800825461	experimental value
3.0325	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID7020895	US EPA CompTox Dashboard