Molecule ID: mol12756
SMILES: Cn1ccnc1-c1nccn1C
InChI: InChI=1S/C8H10N4/c1-11-5-3-9-7(11)8-10-4-6-12(8)2/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | Datawarrior | 2 » 1 |
| 4.91 | OCHEM | 1 » 0 |
| 4.91 | QSARToolbox | 1 » 0 |
| 4.91 | Datawarrior | 1 » 0 |