Molecule ID: mol3707
SMILES: Fc1ccccn1
InChI: InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.44 | IUPAC digitized pKa | 1 » 0 |
| -0.44 | Datawarrior | 1 » 0 |
| -0.44 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.44 | OCHEM | 1 » 0 |
| -0.44 | OCHEM | 1 » 0 |
| -0.44 | OCHEM | 1 » 0 |
| -0.44 | OCHEM | 1 » 0 |
| -0.44 | OCHEM | 1 » 0 |
| -0.44 | OCHEM | 1 » 0 |
| -0.44 | Baltruschat ChEMBL | 1 » 0 |
| -0.44 | AttenGpKa training set | 1 » 0 |
| -0.44 | QSARToolbox | 1 » 0 |
| 0.44 | Baltruschat ChEMBL | 1 » 0 |