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:9
Name:aniline
Description:
Labels:
CAS:62-53-3
InChi Code:InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

Properties

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

ValueSource or prediction
-1.34

experimental value

-1.272

QSAR: Model for algal toxicity (Training set)