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: | 218 | |
|---|---|---|
| Name: | Isothiocyanatobenzene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 103-72-0 | |
| InChi Code: | InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -6.14 |
experimental value |
| -5.0405 |
Tab2: Model for diverse chemicals (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0021129 | US EPA CompTox Dashboard |