Molecule ID: mol13918
SMILES: O=S(=O)(O)CCCN1CCOCC1
InChI: InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.05 | QSARToolbox | 0 » -1 |
| 7.15 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.15 | QSARToolbox | 0 » -1 |
| 7.15 | QSARToolbox | 0 » -1 |
| 7.17 | Datawarrior | 0 » -1 |
| 7.17 | OCHEM | 0 » -1 |
| 7.18 | AttenGpKa training set | 0 » -1 |
| 7.18 | QSARToolbox | 0 » -1 |
| 7.20 | QSARToolbox | 0 » -1 |