Molecule ID: mol31196
SMILES: C[n+]1ccc(/C(O)=C/C(N)=O)cc1
InChI: InChI=1S/C9H10N2O2/c1-11-4-2-7(3-5-11)8(12)6-9(10)13/h2-6H,1H3,(H2-,10,12,13)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.23 | AttenGpKa training set | 1 » 0 |
| 5.23 | QSARToolbox | 1 » 0 |