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:3
Name:methylthiourea
Description:
Labels:
CAS:598-52-7
InChi Code:InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)

Properties

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

ValueSource or prediction
-3.98

experimental value

-3.4

QSAR: Model for Daphnia toxicity (Tarining set)