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: | 213 | |
|---|---|---|
| Name: | (2-Isothiocyanatoethyl)benzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 2257-09-2 | |
| InChi Code: | InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -6.099 |
experimental value |
| -5.0902 |
Tab2: Model for diverse chemicals (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5021120 | US EPA CompTox Dashboard |