Molecule ID: mol14317
SMILES: O=C(O)C(CO)NCc1ccccc1O
InChI: InChI=1S/C10H13NO4/c12-6-8(10(14)15)11-5-7-3-1-2-4-9(7)13/h1-4,8,11-13H,5-6H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | OCHEM | 1 » 0 |
| 2.10 | Datawarrior | 1 » 0 |
| 8.22 | Datawarrior | 0 » -1 |
| 8.22 | QSARToolbox | 0 » -1 |
| 8.22 | OCHEM | 0 » -1 |
| 10.45 | Datawarrior | -1 » -2 |