Molecule ID: mol208
SMILES: NCCC(F)(F)F
InChI: InChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | Hunt | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | Baltruschat ChEMBL | 1 » 0 |
| 8.70 | Settimo | 1 » 0 |
| 8.70 | AttenGpKa training set | 1 » 0 |