Molecule ID: mol25405
SMILES: OC(c1c[nH]cn1)c1cnc[nH]1
InChI: InChI=1S/C7H8N4O/c12-7(5-1-8-3-10-5)6-2-9-4-11-6/h1-4,7,12H,(H,8,10)(H,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.99 | AttenGpKa training set | 2 » 1 |
| 6.89 | AttenGpKa training set | 1 » 0 |