Molecule ID: mol1378
SMILES: C[n+]1ccc2ccc(O)cc2c1
InChI: InChI=1S/C10H9NO/c1-11-5-4-8-2-3-10(12)6-9(8)7-11/h2-7H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.06 | Hunt | 1 » 0 |
| 7.09 | Datawarrior | 1 » 0 |
| 7.09 | AttenGpKa training set | 1 » 0 |
| 7.09 | OCHEM | 1 » 0 |