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:1239
Name:decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Decamethylcyclopentasiloxane (D5)
Labels:
CAS:541-02-6
InChi Code:InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.737492161

experimental value

2.09

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