Molecule ID: mol9346
SMILES: O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChI: InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | IUPAC digitized pKa | 0 » -1 |
| 2.07 | IUPAC digitized pKa | 0 » -1 |
| 2.40 | IUPAC digitized pKa | 0 » -1 |
| 2.80 | AttenGpKa training set | 0 » -1 |
| 7.00 | QSARToolbox | -1 » -2 |
| 9.45 | IUPAC digitized pKa | -1 » -2 |
| 9.45 | IUPAC digitized pKa | -1 » -2 |
| 9.45 | AttenGpKa training set | -1 » -2 |
| 9.55 | IUPAC digitized pKa | -1 » -2 |
| 13.00 | AttenGpKa training set | -2 » -3 |