10967/223 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for abiotic degradation in air. Q13-22a-0034. Molcode Ltd., 2010.

Compound

ID:202
Name:1,4-pentadiene
Description:
Labels:
CAS:591-93-5
InChi Code:InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2

Properties

logT(0.5): Degradation half-life in air [log(h)]

ValueSource or prediction
0.699

experimental value

1.38

QSAR: Model for degradation half-life (Test set)