Molecule ID: mol15760
SMILES: O[n+]1ccc(OCc2ccccc2)cc1
InChI: InChI=1S/C12H12NO2/c14-13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.99 | Datawarrior | 1 » 0 |
| 1.99 | OCHEM | 1 » 0 |
| 1.99 | AttenGpKa training set | 1 » 0 |