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:1308
Name:tridec-1-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-tridecene
Labels:
CAS:2437-56-1
InChi Code:InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.730825461

experimental value

0.7274

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

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