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:59
Name:2,6-dibromo-4-nitrophenol
Description:
Labels:
CAS:99-28-5
InChi Code:InChI=1S/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H

Properties

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

ValueSource or prediction
0.81

experimental value

1.498

QSAR: Model for algal toxicity (Training set)