Molecule ID: mol15886
SMILES: CN(C)CCS
InChI: InChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.16 | QSARToolbox | 1 » 0 |
| 7.60 | QSARToolbox | 1 » 0 |
| 7.68 | OCHEM | 1 » 0 |
| 7.68 | Datawarrior | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.80 | AttenGpKa training set | 1 » 0 |
| 7.80 | QSARToolbox | 1 » 0 |
| 7.95 | QSARToolbox | 1 » 0 |
| 10.71 | QSARToolbox | 0 » -1 |
| 10.75 | QSARToolbox | 0 » -1 |
| 10.75 | AttenGpKa training set | 0 » -1 |
| 10.78 | Datawarrior | 0 » -1 |
| 10.78 | OCHEM | 0 » -1 |
| 10.89 | QSARToolbox | 0 » -1 |