Molecule ID: mol12832
SMILES: C[n+]1ccc2cccc(O)c2c1
InChI: InChI=1S/C10H9NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-7H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.81 | OCHEM | 1 » 0 |
| 5.81 | Datawarrior | 1 » 0 |
| 5.81 | AttenGpKa training set | 1 » 0 |