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:94
Name:benz[a]anthracene
Description:
Labels:
CAS:56-55-3
InChi Code:InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H

Properties

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

ValueSource or prediction
2.23

experimental value

1.63

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