Molecule ID: mol9678
SMILES: O=C1CNc2c([nH]cnc2=O)N1
InChI: InChI=1S/C6H6N4O2/c11-3-1-7-4-5(10-3)8-2-9-6(4)12/h2,7H,1H2,(H2,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.45 | IUPAC digitized pKa | 0 » -1 |
| 8.45 | AttenGpKa training set | 0 » -1 |