Molecule ID: mol11459
SMILES: O=C(O)CN(CC(=O)O)CC(=O)c1cccs1
InChI: InChI=1S/C10H11NO5S/c12-7(8-2-1-3-17-8)4-11(5-9(13)14)6-10(15)16/h1-3H,4-6H2,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.95 | IUPAC digitized pKa | 1 » 0 |
| 7.46 | IUPAC digitized pKa | -1 » -2 |