Molecule ID: mol9000
SMILES: O=c1cn[nH]c(=O)[nH]1
InChI: InChI=1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | IUPAC digitized pKa | 0 » -1 |
| 7.00 | IUPAC digitized pKa | 0 » -1 |
| 7.00 | IUPAC digitized pKa | 0 » -1 |
| 7.00 | IUPAC digitized pKa | 0 » -1 |
| 7.00 | AttenGpKa training set | 0 » -1 |
| 12.90 | IUPAC digitized pKa | -1 » -2 |
| 12.90 | IUPAC digitized pKa | -1 » -2 |
| 12.90 | AttenGpKa training set | -1 » -2 |