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:19
Name:3-cresol
Description:
Labels:
CAS:108-39-4
InChi Code:InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3

Properties

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

ValueSource or prediction
-1.01

experimental value

-0.997

QSAR: Model for algal toxicity (Training set)