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:26
Name:2-chlorobenzaldehyde
Description:
Labels:
CAS:89-98-5
InChi Code:InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H

Properties

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

ValueSource or prediction
0.06

experimental value

-0.102

QSAR: Model for algal toxicity (Training set)