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:216
Name:benzo[b]thiophene
Description:
Labels:
CAS:95-15-8
InChi Code:InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

Properties

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

ValueSource or prediction
2.23

experimental value

1.79

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