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:1377
Name:(1S,4S,5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethylidene norbornene
Labels:
CAS:16219-75-3
InChi Code:InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+/t7-,9-/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.564174539

experimental value

0.6412

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