Molecule ID: mol9146
SMILES: O=c1[nH]cc(O)c(=O)[nH]1
InChI: InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.11 | QSARToolbox | 0 » -1 |
| 8.11 | IUPAC digitized pKa | 0 » -1 |
| 8.11 | AttenGpKa training set | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 8.60 | QSARToolbox | 0 » -1 |
| 11.24 | AttenGpKa training set | -1 » -2 |
| 11.48 | IUPAC digitized pKa | -1 » -2 |
| 11.48 | AttenGpKa training set | -1 » -2 |