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: | 228 | |
|---|---|---|
| Name: | 1,4-Diisothiocyanatobenzene | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 4044-65-9 | |
| InChi Code: | InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -6.397 |
experimental value |
| -6.3767 |
Tab2: Model for diverse chemicals (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3046532 | US EPA CompTox Dashboard |