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:48
Name:2,5-dichloronitrobenzene
Description:
Labels:
CAS:89-61-2
InChi Code:InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

Properties

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

ValueSource or prediction
0.97

experimental value

1.134

QSAR: Model for algal toxicity (Training set)