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:58
Name:2,3,5,6-tetrachloroaniline
Description:
Labels:
CAS:3481-20-7
InChi Code:InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2

Properties

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

ValueSource or prediction
1.48

experimental value

1.297

QSAR: Model for algal toxicity (Training set)