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:54
Name:4-chloroaniline
Description:
Labels:
CAS:106-47-8
InChi Code:InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

Properties

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

ValueSource or prediction
-6.41

experimental value

-4.5

QSAR: Model for Daphnia toxicity (Tarining set)