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:38
Name:4-nitrophenol
Description:
Labels:
CAS:100-02-7
InChi Code:InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

Properties

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

ValueSource or prediction
1.74

experimental value

1.14

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