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:	1320
	Name:	(1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Hexabromocyclododecane (beta)
	Labels:
	CAS:	134237-51-7
	InChi Code:	InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11+,12-/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.110825461	experimental value
2.0073	Tab2.Model_5: Metab. biotransf. fish (Training set)