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:28
Name:isoquinoline
Description:
Labels:
CAS:119-65-3
InChi Code:InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H

Properties

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

ValueSource or prediction
-3.71

experimental value

-4.9

QSAR: Model for Daphnia toxicity (Tarining set)