Molecule ID: mol13371
SMILES: CC(=O)n1ccnc1Cc1ncc[nH]1
InChI: InChI=1S/C9H10N4O/c1-7(14)13-5-4-12-9(13)6-8-10-2-3-11-8/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.93 | QSARToolbox | 2 » 1 |
| 1.93 | Datawarrior | 2 » 1 |
| 6.60 | OCHEM | 1 » 0 |
| 6.60 | Datawarrior | 1 » 0 |