Molecule ID: mol6355
SMILES: Nc1cc(C(=O)O)nc(C(=O)O)c1
InChI: InChI=1S/C7H6N2O4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H2,8,9)(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | QSARToolbox | 1 » 0 |
| 1.80 | IUPAC digitized pKa | 1 » 0 |
| 9.19 | QSARToolbox | -1 » -2 |
| 9.19 | IUPAC digitized pKa | -1 » -2 |
| 9.20 | OCHEM | -1 » -2 |