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:54
Name:Benzene, 1-chloro-2-nitro-
Description:
Labels:
CAS:88-73-3
InChi Code:InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

Properties

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

ValueSource or prediction
2.769

experimental value

2.463

QSAR: Model for acute toxicity (Test set)