Molecule ID: mol12830
SMILES: C[n+]1ccc2cc(O)ccc2c1
InChI: InChI=1S/C10H9NO/c1-11-5-4-8-6-10(12)3-2-9(8)7-11/h2-7H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.02 | AttenGpKa training set | 1 » 0 |
| 6.06 | OCHEM | 1 » 0 |
| 6.06 | Datawarrior | 1 » 0 |