Molecule ID: mol6424
SMILES: O=C(O)c1cc(O)cc(C(=O)O)n1
InChI: InChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.40 | IUPAC digitized pKa | 1 » 0 |
| 1.85 | QSARToolbox | 0 » -1 |
| 1.90 | QSARToolbox | 0 » -1 |
| 1.90 | IUPAC digitized pKa | 1 » 0 |
| 3.11 | IUPAC digitized pKa | 0 » -1 |
| 3.18 | IUPAC digitized pKa | 0 » -1 |
| 3.18 | QSARToolbox | 0 » -1 |
| 3.20 | IUPAC digitized pKa | 0 » -1 |
| 3.47 | IUPAC digitized pKa | 0 » -1 |
| 10.80 | IUPAC digitized pKa | -2 » -3 |
| 10.85 | IUPAC digitized pKa | -2 » -3 |
| 10.85 | OCHEM | -2 » -3 |
| 10.85 | OCHEM | -2 » -3 |
| 10.88 | IUPAC digitized pKa | -2 » -3 |
| 11.40 | IUPAC digitized pKa | -2 » -3 |