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:70
Name:methidathion
Description:
Labels:
CAS:950-37-8
InChi Code:InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3

Properties

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

ValueSource or prediction
-0.73

experimental value

-0.477

QSAR: Model for algal toxicity (Training set)