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:2
Name:ethanol
Description:
Labels:
CAS:64-17-5
InChi Code:InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

Properties

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

ValueSource or prediction
-3.32

experimental value

-3.256

QSAR: Model for algal toxicity (Training set)