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:54
Name:4-chloro-2,6-dinitroaniline
Description:
Labels:
CAS:5388-62-5
InChi Code:InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2

Properties

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

ValueSource or prediction
1.19

experimental value

0.956

QSAR: Model for algal toxicity (Training set)