Molecule ID: mol3711
SMILES: O=Cc1ccncc1
InChI: InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | AttenGpKa training set | 1 » 0 |
| 4.63 | Datawarrior | 1 » 0 |
| 4.63 | OCHEM | 1 » 0 |
| 4.65 | OCHEM | 1 » 0 |
| 4.74 | OCHEM | 1 » 0 |
| 4.74 | OCHEM | 1 » 0 |
| 4.77 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.77 | OCHEM | 1 » 0 |
| 4.77 | OCHEM | 1 » 0 |