Molecule ID: mol3708
SMILES: Fc1cccnc1
InChI: InChI=1S/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | IUPAC digitized pKa | 1 » 0 |
| 2.97 | Datawarrior | 1 » 0 |
| 2.97 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | OCHEM | 1 » 0 |
| 2.97 | Baltruschat ChEMBL | 1 » 0 |
| 2.97 | AttenGpKa training set | 1 » 0 |
| 2.97 | QSARToolbox | 1 » 0 |
| 2.97 | QSARToolbox | 1 » 0 |
| 2.99 | OCHEM | 1 » 0 |
| 3.00 | IUPAC digitized pKa | 1 » 0 |
| 3.00 | QSARToolbox | 1 » 0 |