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:33
Name:2,6-dimethylaniline
Description:
Labels:
CAS:87-62-7
InChi Code:InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3

Properties

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

ValueSource or prediction
-0.87

experimental value

-0.516

QSAR: Model for algal toxicity (Training set)