Molecule ID: mol9003
SMILES: O=C(O)c1c[nH]nn1
InChI: InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.22 | IUPAC digitized pKa | 0 » -1 |
| 3.22 | OCHEM | 0 » -1 |
| 3.22 | OCHEM | 0 » -1 |
| 3.22 | AttenGpKa training set | 0 » -1 |
| 3.22 | AttenGpKa training set | 0 » -1 |
| 8.73 | IUPAC digitized pKa | -1 » -2 |
| 8.73 | AttenGpKa training set | -1 » -2 |
| 8.73 | AttenGpKa training set | -1 » -2 |