Molecule ID: mol3710
SMILES: O=Cc1cccnc1
InChI: InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.71 | AttenGpKa training set | 1 » 0 |
| 3.73 | Datawarrior | 1 » 0 |
| 3.73 | OCHEM | 1 » 0 |
| 3.75 | OCHEM | 1 » 0 |
| 3.80 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |