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: | 168 | |
|---|---|---|
| Name: | Isothiocyanatoethane | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 542-85-8 | |
| InChi Code: | InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -5.307 |
experimental value |
| -3.9508 |
Tab2: Model for diverse chemicals (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2060258 | US EPA CompTox Dashboard |