Molecule ID: mol13743
SMILES: COc1ccc(-c2nnn[nH]2)cc1
InChI: InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.88 | AttenGpKa training set | 1 » 0 |
| 4.23 | Datawarrior | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |