Molecule ID: mol15761
SMILES: Oc1cccc[n+]1OCc1ccccc1
InChI: InChI=1S/C12H11NO2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10H2/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.70 | Datawarrior | 1 » 0 |
| -1.70 | OCHEM | 1 » 0 |
| -1.70 | AttenGpKa training set | 1 » 0 |