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:50
Name:2,2'-iminobisethanol
Description:
Labels:
CAS:111-42-2
InChi Code:InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2

Properties

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

ValueSource or prediction
-2.93

experimental value

-1.85

QSAR: Model for Daphnia toxicity (Tarining set)