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:43
Name:1,3-Benzenediol, 4-chloro-
Description:
Labels:
CAS:95-88-5
InChi Code:InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

Properties

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

ValueSource or prediction
2.593

experimental value

2.55

QSAR: Model for acute toxicity (Training set)