Molecule ID: mol2220
SMILES: Nc1cccc(OC(F)(F)C(F)(F)F)c1
InChI: InChI=1S/C8H6F5NO/c9-7(10,11)8(12,13)15-6-3-1-2-5(14)4-6/h1-4H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.24 | IUPAC digitized pKa | 1 » 0 |
| 3.24 | Hunt | 1 » 0 |
| 3.24 | OCHEM | 1 » 0 |
| 3.24 | AttenGpKa training set | 1 » 0 |
| 3.24 | QSARToolbox | 1 » 0 |