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:22
Name:3-chloroaniline
Description:
Labels:
CAS:108-42-9
InChi Code:InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

Properties

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

ValueSource or prediction
-0.31

experimental value

-0.732

QSAR: Model for algal toxicity (Training set)