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:282
Name:thiocyanic acid, methylene ester
Description:
Labels:
CAS:6317-18-6
InChi Code:InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2

Properties

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

ValueSource or prediction
-6.25

experimental value

-3.93

QSAR: Model for Daphnia toxicity (Test set)