Moosus, M.; Maran, U. Quantitative structure-activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors. SAR QSAR Environ. Res. 2011, 22, 7-8, 757–774.
Compound
| ID: | 181 | |
|---|---|---|
| Name: | 1-Isothiocyanatobutane | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 592-82-5 | |
| InChi Code: | InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -5.428 |
experimental value |
| -4.2932 |
Tab2: Model for diverse chemicals (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7060467 | US EPA CompTox Dashboard |