Molecule ID: mol1049
SMILES: Nc1ccccc1F
InChI: InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.96 | IUPAC digitized pKa | 1 » 0 |
| 2.96 | Datawarrior | 1 » 0 |
| 2.96 | OCHEM | 1 » 0 |
| 3.00 | IUPAC digitized pKa | 1 » 0 |
| 3.05 | IUPAC digitized pKa | 1 » 0 |
| 3.08 | AttenGpKa training set | 1 » 0 |
| 3.12 | IUPAC digitized pKa | 1 » 0 |
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 3.20 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.20 | OCHEM | 1 » 0 |
| 3.20 | OCHEM | 1 » 0 |
| 3.20 | Hunt | 1 » 0 |
| 3.20 | OCHEM | 1 » 0 |
| 3.20 | Baltruschat ChEMBL | 1 » 0 |
| 3.23 | OCHEM | 1 » 0 |
| 3.25 | IUPAC digitized pKa | 1 » 0 |