Molecule ID: mol6559
SMILES: O=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O
InChI: InChI=1S/C9H5NO8/c11-6(12)2-1-3(7(13)14)5(9(17)18)10-4(2)8(15)16/h1H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.54 | IUPAC digitized pKa | -1 » -2 |
| 4.16 | IUPAC digitized pKa | -2 » -3 |
| 5.58 | IUPAC digitized pKa | -3 » -4 |
| 5.58 | OCHEM | -3 » -4 |