10967/225 - 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 rat chronic LOAEL. Q13-414-0035. Molcode Ltd., 2010.

Compound

ID:22
Name:p-Phthalic acid
Description:
Labels:
CAS:100-21-0
InChi Code:InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

Properties

LOAEL: Rat chronic LOAEL [log(umol/kg)]

ValueSource or prediction
3.48

experimental value

3.54

QSAR: Model for chronic toxicity (Training set)