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:1388
Name:2-methyltridec-1-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2 methyl 1-tridecene
Labels:
CAS:18094-01-4
InChi Code:InChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h2,4-13H2,1,3H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.730825461

experimental value

0.6591

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

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