Molecule ID: mol6418
SMILES: O=C(O)c1cccc(C(=O)O)n1
InChI: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.09 | IUPAC digitized pKa | 0 » -1 |
| 2.10 | IUPAC digitized pKa | 0 » -1 |
| 2.16 | IUPAC digitized pKa | 0 » -1 |
| 2.16 | IUPAC digitized pKa | 0 » -1 |
| 2.16 | QSARToolbox | 0 » -1 |
| 2.17 | QSARToolbox | 0 » -1 |
| 2.24 | IUPAC digitized pKa | 0 » -1 |
| 4.53 | IUPAC digitized pKa | -1 » -2 |
| 4.67 | IUPAC digitized pKa | -1 » -2 |
| 4.68 | IUPAC digitized pKa | -1 » -2 |
| 4.68 | OCHEM | -1 » -2 |
| 4.68 | OCHEM | -1 » -2 |
| 4.76 | IUPAC digitized pKa | -1 » -2 |
| 4.76 | IUPAC digitized pKa | -1 » -2 |
| 4.76 | QSARToolbox | -1 » -2 |