Molecule ID: mol6420
SMILES: O=C(O)c1cncc(C(=O)O)c1
InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3H,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | IUPAC digitized pKa | 1 » 0 |
| 1.10 | OCHEM | 1 » 0 |
| 1.10 | OCHEM | 1 » 0 |
| 1.10 | QSARToolbox | 1 » 0 |
| 1.10 | QSARToolbox | 1 » 0 |
| 2.72 | IUPAC digitized pKa | 0 » -1 |
| 2.72 | QSARToolbox | 0 » -1 |
| 2.80 | QSARToolbox | 0 » -1 |
| 4.62 | IUPAC digitized pKa | -1 » -2 |