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:15
Name:2-hydroxyethyl acrylate
Description:
Labels:
CAS:818-61-1
InChi Code:InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2

Properties

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

ValueSource or prediction
-2.79

experimental value

-2.843

QSAR: Model for algal toxicity (Training set)