Molecule ID: mol1456
SMILES: Nc1c(F)c(F)c(F)c(F)c1F
InChI: InChI=1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.28 | QSARToolbox | 1 » 0 |
| -0.28 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.28 | OCHEM | 1 » 0 |
| -0.28 | OCHEM | 1 » 0 |
| -0.28 | Hunt | 1 » 0 |
| -0.28 | OCHEM | 1 » 0 |
| -0.28 | OCHEM | 1 » 0 |
| 0.16 | AttenGpKa training set | 1 » 0 |