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:52
Name:2,6-dichloro-4-nitroaniline
Description:
Labels:
CAS:99-30-9
InChi Code:InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2

Properties

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

ValueSource or prediction
0.64

experimental value

0.746

QSAR: Model for algal toxicity (Training set)