10967/222 - 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 algae toxicity of benzene derivatives. Q13-32-0028. Molcode Ltd., 2009.

Compound

ID:60
Name:2,3,5,6-tetrachloronitrobenzene
Description:
Labels:
CAS:117-18-0
InChi Code:InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H

Properties

pEC50: Algal toxicity as log(1/EC50) [mM]

ValueSource or prediction
2.34

experimental value

2.316

QSAR: Model for algal toxicity (Training set)