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:51
Name:2-methyl-1,4-naphthoquinone
Description:
Labels:
CAS:58-27-5
InChi Code:InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3

Properties

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

ValueSource or prediction
0.16

experimental value

1.678

QSAR: Model for algal toxicity (Training set)