Molecule ID: mol31197
SMILES: C[n+]1cccc(/C(O)=C/C(N)=O)c1
InChI: InChI=1S/C9H10N2O2/c1-11-4-2-3-7(6-11)8(12)5-9(10)13/h2-6H,1H3,(H2-,10,12,13)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | QSARToolbox | 1 » 0 |
| 5.60 | AttenGpKa training set | 1 » 0 |