Molecule ID: mol12849
SMILES: Cn1ccnc1-c1ccccn1
InChI: InChI=1S/C9H9N3/c1-12-7-6-11-9(12)8-4-2-3-5-10-8/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.40 | Datawarrior | 2 » 1 |
| 0.40 | QSARToolbox | 2 » 1 |
| 5.70 | OCHEM | 1 » 0 |
| 5.70 | Datawarrior | 1 » 0 |