Molecule ID: mol10989
SMILES: O=C(O)CNC(=O)c1ccccc1O
InChI: InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | IUPAC digitized pKa | 0 » -1 |
| 3.62 | QSARToolbox | 0 » -1 |
| 3.62 | AttenGpKa training set | 0 » -1 |
| 3.63 | Datawarrior | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 8.16 | QSARToolbox | -1 » -2 |
| 8.16 | Datawarrior | -1 » -2 |