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:40
Name:Benzenamine, 3-chloro-4-methyl-
Description:
Labels:
CAS:95-74-9
InChi Code:InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3

Properties

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

ValueSource or prediction
1.975

experimental value

2.294

QSAR: Model for acute toxicity (Training set)