Molecule ID: mol1376
SMILES: C[n+]1cc(O)c2ccccc2c1
InChI: InChI=1S/C10H9NO/c1-11-6-8-4-2-3-5-9(8)10(12)7-11/h2-7H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | Hunt | 1 » 0 |
| 4.93 | OCHEM | 1 » 0 |
| 4.93 | QSARToolbox | 1 » 0 |
| 4.93 | QSARToolbox | 1 » 0 |
| 4.93 | Datawarrior | 1 » 0 |
| 4.93 | AttenGpKa training set | 1 » 0 |