Molecule ID: mol4818
SMILES: Cc1cnc2nc(O)ncc2n1
InChI: InChI=1S/C7H6N4O/c1-4-2-8-6-5(10-4)3-9-7(12)11-6/h2-3H,1H3,(H,8,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.20 | AttenGpKa training set | 1 » 0 |
| 7.95 | AttenGpKa training set | 0 » -1 |