Molecule ID: mol6534
SMILES: O=C(O)c1nc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChI: InChI=1S/C10H5NO10/c12-6(13)1-2(7(14)15)4(9(18)19)11-5(10(20)21)3(1)8(16)17/h(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | IUPAC digitized pKa | -1 » -2 |
| 1.97 | IUPAC digitized pKa | 0 » -1 |
| 3.46 | IUPAC digitized pKa | -2 » -3 |
| 4.61 | OCHEM | -4 » -5 |
| 4.61 | OCHEM | -4 » -5 |
| 4.91 | IUPAC digitized pKa | -3 » -4 |
| 6.43 | IUPAC digitized pKa | -4 » -5 |