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:1390
Name:2-methylundec-1-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-methyl-1-undecene
Labels:
CAS:18516-37-5
InChi Code:InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h2,4-11H2,1,3H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.170825461

experimental value

0.418

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

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