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: | 15 | |
|---|---|---|
| Name: | isothiocyanatomethane | |
| Description: | ||
| Labels: | ||
| CAS: | 556-61-6 | |
| InChi Code: | InChI=1S/C2H3NS/c1-3-2-4/h1H3 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [mol/L]
| Value | Source or prediction |
|---|---|
| -5.42 |
experimental value |
| -3.99 |
QSAR: Model for Daphnia toxicity (Tarining set) |