Molecule ID: mol209
SMILES: CNCC(F)(F)F
InChI: InChI=1S/C3H6F3N/c1-7-2-3(4,5)6/h7H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | Baltruschat ChEMBL | 1 » 0 |
| 6.10 | OCHEM | 1 » 0 |
| 6.10 | OCHEM | 1 » 0 |
| 6.10 | Hunt | 1 » 0 |
| 6.10 | Settimo | 1 » 0 |
| 6.10 | AttenGpKa training set | 1 » 0 |