Molecule ID: mol9159
SMILES: Cc1n[nH]c(=O)[nH]c1=O
InChI: InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.42 | IUPAC digitized pKa | 0 » -1 |
| 7.48 | IUPAC digitized pKa | 0 » -1 |
| 7.48 | AttenGpKa training set | 0 » -1 |
| 7.60 | QSARToolbox | 0 » -1 |
| 7.60 | IUPAC digitized pKa | 0 » -1 |
| 13.40 | IUPAC digitized pKa | -1 » -2 |
| 13.40 | AttenGpKa training set | -1 » -2 |