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:93
Name:1,2,3,4,7-pentachlorodibenzo-p-dioxin
Description:
Labels:
CAS:39227-61-7
InChi Code:InChI=1S/C12H3Cl5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)18-5/h1-3H

Properties

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

ValueSource or prediction
2.74

experimental value

2.55

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