10967/226 - 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 acute oral toxicity of benzene derivatives - Acute Toxic Class Method. Q13-42-0029. Molcode Ltd., 2009.

Compound

ID:55
Name:Benzene, 1,4-dichloro-2-nitro-
Description:
Labels:
CAS:89-61-2
InChi Code:InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

Properties

pLD50: Mouse oral toxicity as log(1/LD50) [M]

ValueSource or prediction
2.283

experimental value

2.677

QSAR: Model for acute toxicity (Test set)