Molecule ID: mol26879
SMILES: C[n+]1ccc(C(=O)CC(N)=O)cc1
InChI: InChI=1S/C9H10N2O2/c1-11-4-2-7(3-5-11)8(12)6-9(10)13/h2-5H,6H2,1H3,(H-,10,13)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.99 | QSARToolbox | 2 » 1 |
| 5.99 | AttenGpKa training set | 2 » 1 |