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:16
Name:4-methyl-2-pentanone
Description:
Labels:
CAS:108-10-1
InChi Code:InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

Properties

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

ValueSource or prediction
1.74

experimental value

1.49

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