Molecule ID: mol13741
SMILES: COc1ccccc1-c1nnn[nH]1
InChI: InChI=1S/C8H8N4O/c1-13-7-5-3-2-4-6(7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Datawarrior | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |