Molecule ID: mol13302
SMILES: O=S(=O)(O)CC(O)CN1CCOCC1
InChI: InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.87 | AttenGpKa training set | 0 » -1 |
| 6.91 | OCHEM | 0 » -1 |
| 6.91 | Datawarrior | 0 » -1 |