Molecule ID: mol14337
SMILES: O=C(O)CNC(=O)c1cccc(O)c1O
InChI: InChI=1S/C9H9NO5/c11-6-3-1-2-5(8(6)14)9(15)10-4-7(12)13/h1-3,11,14H,4H2,(H,10,15)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Datawarrior | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 7.70 | Datawarrior | -1 » -2 |