Molecule ID: mol12853
SMILES: COc1ccc2c(c1)nnn2O
InChI: InChI=1S/C7H7N3O2/c1-12-5-2-3-7-6(4-5)8-9-10(7)11/h2-4,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.07 | Datawarrior | 0 » -1 |
| 5.07 | AttenGpKa training set | 0 » -1 |
| 5.07 | QSARToolbox | 0 » -1 |
| 5.07 | OCHEM | 0 » -1 |