Molecule ID: mol6123
SMILES: O=C(O)CN(CC(=O)O)CC(=O)c1ccccc1
InChI: InChI=1S/C12H13NO5/c14-10(9-4-2-1-3-5-9)6-13(7-11(15)16)8-12(17)18/h1-5H,6-8H2,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.25 | IUPAC digitized pKa | 1 » 0 |
| 1.25 | IUPAC digitized pKa | 1 » 0 |
| 1.85 | IUPAC digitized pKa | 0 » -1 |
| 1.85 | IUPAC digitized pKa | 0 » -1 |
| 1.90 | IUPAC digitized pKa | 0 » -1 |
| 7.89 | IUPAC digitized pKa | -1 » -2 |
| 8.02 | IUPAC digitized pKa | -1 » -2 |
| 8.02 | IUPAC digitized pKa | -1 » -2 |