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:100
Name:3,3',4,4',5,5'-hexachlorobiphenyl
Description:Structure (mol-file) matches with CAS but not with the name
Labels:
CAS:26601-64-9
InChi Code:InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H

Properties

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

ValueSource or prediction
3.74

experimental value

3.06

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