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:82
Name:benzyl methacrylate
Description:
Labels:
CAS:2495-37-6
InChi Code:InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3

Properties

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

ValueSource or prediction
-0.21

experimental value

0.326

QSAR: Model for algal toxicity (Test set)