Molecule ID: mol1092
SMILES: Nc1ccc(C(F)(F)F)cc1
InChI: InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.45 | IUPAC digitized pKa | 1 » 0 |
| 2.45 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.45 | OCHEM | 1 » 0 |
| 2.45 | OCHEM | 1 » 0 |
| 2.45 | Hunt | 1 » 0 |
| 2.45 | OCHEM | 1 » 0 |
| 2.45 | OCHEM | 1 » 0 |
| 2.45 | QSARToolbox | 1 » 0 |
| 2.57 | QSARToolbox | 1 » 0 |
| 2.57 | Baltruschat ChEMBL | 1 » 0 |
| 2.60 | QSARToolbox | 1 » 0 |
| 2.60 | OCHEM | 1 » 0 |
| 2.60 | OCHEM | 1 » 0 |
| 2.75 | AttenGpKa training set | 1 » 0 |
| 2.75 | IUPAC digitized pKa | 1 » 0 |