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:63
Name:cyanophos
Description:
Labels:
CAS:2636-26-2
InChi Code:InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

Properties

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

ValueSource or prediction
0.79

experimental value

0.604

QSAR: Model for algal toxicity (Training set)