Molecule ID: mol1039
SMILES: CN(C)c1cccc(C(F)(F)F)c1
InChI: InChI=1S/C9H10F3N/c1-13(2)8-5-3-4-7(6-8)9(10,11)12/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.06 | QSARToolbox | 1 » 0 |
| 3.27 | QSARToolbox | 1 » 0 |
| 3.27 | QSARToolbox | 1 » 0 |
| 3.27 | IUPAC digitized pKa | 1 » 0 |
| 3.27 | Hunt | 1 » 0 |
| 3.27 | OCHEM | 1 » 0 |
| 3.27 | AttenGpKa training set | 1 » 0 |