Molecule ID: mol12831
SMILES: C[n+]1cccc2ccc(O)cc21
InChI: InChI=1S/C10H9NO/c1-11-6-2-3-8-4-5-9(12)7-10(8)11/h2-7H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.56 | OCHEM | 1 » 0 |
| 5.56 | Datawarrior | 1 » 0 |
| 5.56 | AttenGpKa training set | 1 » 0 |