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:1394
Name:(5S)-5-ethylnon-1-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 5-ethyl-1-nonene
Labels:
CAS:19780-74-6
InChi Code:InChI=1S/C11H22/c1-4-7-9-11(6-3)10-8-5-2/h4,11H,1,5-10H2,2-3H3/t11-/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.930825461

experimental value

0.4609

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