Molecule ID: mol9002
SMILES: O=c1nc[nH]c(=O)[nH]1
InChI: InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | IUPAC digitized pKa | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |
| 6.50 | AttenGpKa training set | 0 » -1 |
| 6.73 | IUPAC digitized pKa | 0 » -1 |
| 6.73 | AttenGpKa training set | 0 » -1 |