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:72
Name:pentabromophenol
Description:
Labels:
CAS:608-71-9
InChi Code:InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Properties

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

ValueSource or prediction
3.1

experimental value

3.225

QSAR: Model for algal toxicity (Training set)