Molecule ID: mol12753
SMILES: Cc1cccc(-c2nnn[nH]2)c1
InChI: InChI=1S/C8H8N4/c1-6-3-2-4-7(5-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | Datawarrior | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |