Molecule ID: mol3235
SMILES: CC(C)NCC(F)(F)C(F)(F)C(F)(F)CNC(C)C
InChI: InChI=1S/C11H20F6N2/c1-7(2)18-5-9(12,13)11(16,17)10(14,15)6-19-8(3)4/h7-8,18-19H,5-6H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.72 | IUPAC digitized pKa | 2 » 1 |
| 5.72 | AttenGpKa training set | 2 » 1 |
| 7.01 | IUPAC digitized pKa | 1 » 0 |