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:203
Name:nitrobenzene
Description:
Labels:
CAS:98-95-3
InChi Code:InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

Properties

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

ValueSource or prediction
0.699

experimental value

1.49

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