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:90
Name:2,2',3,3',4,5,5',6,6'-nonachlorobiphenyl
Description:Structure (mol-file) matches with CAS but not with the name
Labels:
CAS:53742-07-7
InChi Code:InChI=1S/C12HCl9/c13-2-1-3(14)7(16)4(6(2)15)5-8(17)10(19)12(21)11(20)9(5)18/h1H

Properties

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

ValueSource or prediction
4.23

experimental value

3.67

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