Molecule ID: mol9676
SMILES: O=C1CNC2=CNC(=O)NC2=N1
InChI: InChI=1S/C6H6N4O2/c11-4-2-7-3-1-8-6(12)10-5(3)9-4/h1,7H,2H2,(H2,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.84 | IUPAC digitized pKa | 0 » -1 |
| 5.84 | AttenGpKa training set | 0 » -1 |