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:39
Name:Benzene, 2,4-dichloro-1-methyl-
Description:
Labels:
CAS:95-73-8
InChi Code:InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

Properties

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

ValueSource or prediction
1.827

experimental value

1.501

QSAR: Model for acute toxicity (Training set)