Molecule ID: mol14036
SMILES: Nc1ccc2[nH]c(=O)[nH]c2c1
InChI: InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | Datawarrior | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 9.00 | QSARToolbox | 0 » -1 |