Molecule ID: mol12417
SMILES: C[n+]1cccc(O)c1
InChI: InChI=1S/C6H7NO/c1-7-4-2-3-6(8)5-7/h2-5H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.96 | Datawarrior | 1 » 0 |
| 4.96 | OCHEM | 1 » 0 |
| 4.96 | AttenGpKa training set | 1 » 0 |
| 4.96 | QSARToolbox | 1 » 0 |
| 4.96 | QSARToolbox | 1 » 0 |
| 4.96 | QSARToolbox | 1 » 0 |
| 4.96 | QSARToolbox | 1 » 0 |