Molecule ID: mol26296
SMILES: Cc1cnc2c(O)nc(-c3ccccc3)nc2n1
InChI: InChI=1S/C13H10N4O/c1-8-7-14-10-12(15-8)16-11(17-13(10)18)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.72 | AttenGpKa training set | 0 » -1 |