Molecule ID: mol6662
SMILES: Cc1nc(C(=O)O)c(C(=O)O)[nH]1
InChI: InChI=1S/C6H6N2O4/c1-2-7-3(5(9)10)4(8-2)6(11)12/h1H3,(H,7,8)(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.25 | IUPAC digitized pKa | 0 » -1 |
| 4.25 | AttenGpKa training set | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | Datawarrior | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |
| 8.28 | IUPAC digitized pKa | -1 » -2 |
| 8.28 | AttenGpKa training set | -1 » -2 |