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: | 211 | |
|---|---|---|
| Name: | naphtho[2,1-b][1]benzothiole | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 205-43-6 | |
| InChi Code: | InChI=1S/C16H10S/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]
| Value | Source or prediction |
|---|---|
| -6.027 |
experimental value |
| -6.2382 |
Tab2: Model for diverse chemicals (External validation set) |