Molecule ID: mol1050
SMILES: Nc1cccc(F)c1
InChI: InChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.37 | IUPAC digitized pKa | 1 » 0 |
| 3.39 | IUPAC digitized pKa | 1 » 0 |
| 3.41 | IUPAC digitized pKa | 1 » 0 |
| 3.41 | Datawarrior | 1 » 0 |
| 3.41 | OCHEM | 1 » 0 |
| 3.42 | IUPAC digitized pKa | 1 » 0 |
| 3.46 | AttenGpKa training set | 1 » 0 |
| 3.48 | IUPAC digitized pKa | 1 » 0 |
| 3.50 | IUPAC digitized pKa | 1 » 0 |
| 3.50 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.50 | Hunt | 1 » 0 |
| 3.57 | IUPAC digitized pKa | 1 » 0 |
| 3.58 | OCHEM | 1 » 0 |
| 3.58 | OCHEM | 1 » 0 |
| 3.58 | OCHEM | 1 » 0 |
| 3.58 | Baltruschat ChEMBL | 1 » 0 |
| 3.59 | IUPAC digitized pKa | 1 » 0 |
| 3.66 | IUPAC digitized pKa | 1 » 0 |