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: | 5 | |
|---|---|---|
| Name: | benzylisothiocyanate | |
| Description: | ||
| Labels: | ||
| CAS: | 622-78-6 | |
| InChi Code: | InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [mol/L]
| Value | Source or prediction |
|---|---|
| -6.54 |
experimental value |
| -4.79 |
QSAR: Model for Daphnia toxicity (Tarining set) |