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:	288
	Name:	decachloropentacyclo[5.3.0.0²,⁶.0³,⁹.0⁴,⁸]decan-5-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlordecone
	Labels:
	CAS:	143-50-0
	InChi Code:	InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/t2-,3+,4-,5+,6+,7-,8+,9-

Properties

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

Value	Source or prediction
4.2	experimental value
3.7224	Tab2.Model_2: logKoc (Training set)

M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)

Value	Source or prediction
-1.89	experimental value
-2.2082	Tab2.Model_4: EDC estrogen receptor binding (Training set)