Molecule ID: mol22945
SMILES: O=C(O)c1ccc(C[n+]2ccccc2)cc1
InChI: InChI=1S/C13H11NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h1-9H,10H2/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.71 | AttenGpKa training set | 1 » 0 |
| 3.71 | QSARToolbox | 1 » 0 |