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:1238
Name:dodecamethylcyclohexasiloxane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Dodecamethylcyclohexasiloxane (D6)
Labels:
CAS:540-97-6
InChi Code:InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.340825461

experimental value

2.1805

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

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