Molecule ID: mol9145
SMILES: O=C(O)c1cc[nH]n1
InChI: InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.74 | IUPAC digitized pKa | 0 » -1 |
| 3.79 | AttenGpKa training set | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | Datawarrior | 0 » -1 |