Molecule ID: mol3709
SMILES: O=Cc1ccccn1
InChI: InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | OCHEM | 1 » 0 |
| 3.80 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.84 | OCHEM | 1 » 0 |
| 3.84 | OCHEM | 1 » 0 |
| 3.86 | OCHEM | 1 » 0 |
| 3.86 | Datawarrior | 1 » 0 |