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:226
Name:2-butanone
Description:
Labels:
CAS:78-93-3
InChi Code:InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3

Properties

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

ValueSource or prediction
2.23

experimental value

1.45

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