Molecule ID: mol12651
SMILES: O=S(=O)(O)CCN1CCOCC1
InChI: InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.91 | QSARToolbox | 0 » -1 |
| 5.92 | QSARToolbox | 0 » -1 |
| 5.96 | QSARToolbox | 0 » -1 |
| 5.98 | QSARToolbox | 0 » -1 |
| 5.98 | QSARToolbox | 0 » -1 |
| 5.99 | QSARToolbox | 0 » -1 |
| 6.10 | QSARToolbox | 0 » -1 |
| 6.12 | QSARToolbox | 0 » -1 |
| 6.16 | OCHEM | 0 » -1 |
| 6.16 | Datawarrior | 0 » -1 |
| 6.23 | AttenGpKa training set | 0 » -1 |