Molecule ID: mol11602
SMILES: O=C(O)CN(CC(=O)O)Cc1ccccc1O
InChI: InChI=1S/C11H13NO5/c13-9-4-2-1-3-8(9)5-12(6-10(14)15)7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | Datawarrior | 1 » 0 |
| 2.20 | OCHEM | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 8.17 | IUPAC digitized pKa | -1 » -2 |
| 8.17 | Datawarrior | -1 » -2 |
| 8.17 | QSARToolbox | -1 » -2 |
| 11.79 | IUPAC digitized pKa | -2 » -3 |
| 11.79 | Datawarrior | -2 » -3 |
| 11.79 | OCHEM | -2 » -3 |