Molecule ID: mol6779
SMILES: CNc1nc(O)cnc1C=O
InChI: InChI=1S/C6H7N3O2/c1-7-6-4(3-10)8-2-5(11)9-6/h2-3H,1H3,(H2,7,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.05 | IUPAC digitized pKa | 1 » 0 |
| -1.05 | AttenGpKa training set | 1 » 0 |
| 6.44 | IUPAC digitized pKa | 0 » -1 |
| 6.44 | AttenGpKa training set | 0 » -1 |