Molecule ID: mol176
SMILES: NCCF
InChI: InChI=1S/C2H6FN/c3-1-2-4/h1-2,4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.79 | QSARToolbox | 1 » 0 |
| 8.79 | IUPAC digitized pKa | 1 » 0 |
| 8.79 | Datawarrior | 1 » 0 |
| 8.79 | OCHEM | 1 » 0 |
| 8.79 | OCHEM | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | Hunt | 1 » 0 |
| 9.00 | Baltruschat ChEMBL | 1 » 0 |
| 9.00 | Settimo | 1 » 0 |
| 9.00 | AttenGpKa training set | 1 » 0 |