Molecule ID: mol1051
SMILES: Nc1ccc(F)cc1
InChI: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.39 | IUPAC digitized pKa | 1 » 0 |
| 4.48 | IUPAC digitized pKa | 1 » 0 |
| 4.53 | IUPAC digitized pKa | 1 » 0 |
| 4.56 | IUPAC digitized pKa | 1 » 0 |
| 4.59 | AttenGpKa training set | 1 » 0 |
| 4.64 | OCHEM | 1 » 0 |
| 4.64 | IUPAC digitized pKa | 1 » 0 |
| 4.64 | Datawarrior | 1 » 0 |
| 4.65 | IUPAC digitized pKa | 1 » 0 |
| 4.65 | IUPAC digitized pKa | 1 » 0 |
| 4.65 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.65 | OCHEM | 1 » 0 |
| 4.65 | OCHEM | 1 » 0 |
| 4.65 | Hunt | 1 » 0 |
| 4.65 | OCHEM | 1 » 0 |
| 4.65 | OCHEM | 1 » 0 |
| 4.65 | Baltruschat ChEMBL | 1 » 0 |
| 4.73 | IUPAC digitized pKa | 1 » 0 |