Molecule ID: mol10099
SMILES: Cc1nc(=O)[nH]c2nccnc12
InChI: InChI=1S/C7H6N4O/c1-4-5-6(9-3-2-8-5)11-7(12)10-4/h2-3H,1H3,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | AttenGpKa training set | 0 » -1 |
| 9.00 | IUPAC digitized pKa | 0 » -1 |