Molecule ID: mol6419
SMILES: O=C(O)c1ccncc1C(=O)O
InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | IUPAC digitized pKa | 1 » 0 |
| 2.60 | QSARToolbox | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |
| 2.63 | IUPAC digitized pKa | 0 » -1 |
| 2.93 | OCHEM | 0 » -1 |
| 2.95 | IUPAC digitized pKa | 0 » -1 |
| 5.07 | IUPAC digitized pKa | -1 » -2 |
| 5.07 | IUPAC digitized pKa | -1 » -2 |
| 5.07 | OCHEM | -1 » -2 |
| 5.07 | OCHEM | -1 » -2 |
| 5.07 | QSARToolbox | -1 » -2 |