Molecule ID: mol6242
SMILES: O=C(O)CN(CC(=O)O)Cc1ccccc1
InChI: InChI=1S/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.49 | IUPAC digitized pKa | 1 » 0 |
| 1.49 | IUPAC digitized pKa | 1 » 0 |
| 1.90 | IUPAC digitized pKa | 1 » 0 |
| 2.09 | IUPAC digitized pKa | 1 » 0 |
| 2.09 | IUPAC digitized pKa | 1 » 0 |
| 2.24 | IUPAC digitized pKa | 1 » 0 |
| 2.27 | IUPAC digitized pKa | 0 » -1 |
| 2.30 | IUPAC digitized pKa | 0 » -1 |
| 2.32 | IUPAC digitized pKa | 0 » -1 |
| 8.76 | IUPAC digitized pKa | -1 » -2 |
| 8.88 | IUPAC digitized pKa | -1 » -2 |
| 8.90 | IUPAC digitized pKa | -1 » -2 |
| 8.91 | IUPAC digitized pKa | -1 » -2 |
| 8.96 | IUPAC digitized pKa | -1 » -2 |
| 8.96 | IUPAC digitized pKa | -1 » -2 |
| 9.07 | IUPAC digitized pKa | -1 » -2 |