Molecule ID: mol216
SMILES: FC1(F)CCCNC1
InChI: InChI=1S/C5H9F2N/c6-5(7)2-1-3-8-4-5/h8H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | OCHEM | 1 » 0 |
| 7.40 | Baltruschat ChEMBL | 1 » 0 |
| 7.40 | Settimo | 1 » 0 |
| 7.40 | AttenGpKa training set | 1 » 0 |