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: | 47 | |
|---|---|---|
| Name: | isobornyl thiocyanatoacetate | |
| Description: | ||
| Labels: | ||
| CAS: | 115-31-1 | |
| InChi Code: | InChI=1S/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10?,13-/m1/s1 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [mol/L]
| Value | Source or prediction |
|---|---|
| -6.5 |
experimental value |
| -5.39 |
QSAR: Model for Daphnia toxicity (Tarining set) |