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:1262
Name:hexadec-1-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-hexadecene
Labels:
CAS:629-73-2
InChi Code:InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.665825461

experimental value

1.053

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

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