Molecule ID: mol31410
SMILES: Cn1cc[n+](CC(=O)NO)c1
InChI: InChI=1S/C6H9N3O2/c1-8-2-3-9(5-8)4-6(10)7-11/h2-3,5H,4H2,1H3,(H-,7,10,11)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.88 | AttenGpKa training set | 1 » 0 |
| 7.88 | QSARToolbox | 1 » 0 |