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:13
Name:2-pentanone
Description:
Labels:
CAS:107-87-9
InChi Code:InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3

Properties

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

ValueSource or prediction
1.74

experimental value

1.47

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