10967/229 - 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 toxicity to Daphnia magna. Q13-31-0060. 2010.

Compound

ID:92
Name:toluene
Description:
Labels:
CAS:108-88-3
InChi Code:InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

Properties

logLC50: 48-h Daphnia toxicity as log(LC50) [mol/L]

ValueSource or prediction
-2.8

experimental value

-3.71

QSAR: Model for Daphnia toxicity (Tarining set)