10967/177 - QDB Compounds

QsarDB Repository

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:1361
Name:(1S,2S,3R,4R,6S,7R)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlordane
Labels:
CAS:12789-03-6
InChi Code:InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8+,9-/m0/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.740825461

experimental value

2.1711

Tab2.Model_5: Metab. biotransf. fish (Training set)