Molecule ID: mol220
SMILES: CN(C)CC(F)(F)F
InChI: InChI=1S/C4H8F3N/c1-8(2)3-4(5,6)7/h3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.75 | AttenGpKa training set | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.80 | Hunt | 1 » 0 |
| 4.80 | Baltruschat ChEMBL | 1 » 0 |
| 4.80 | Settimo | 1 » 0 |