Molecule ID: mol182
SMILES: NCC(F)F
InChI: InChI=1S/C2H5F2N/c3-2(4)1-5/h2H,1,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.09 | IUPAC digitized pKa | 1 » 0 |
| 7.09 | Datawarrior | 1 » 0 |
| 7.09 | OCHEM | 1 » 0 |
| 7.09 | OCHEM | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | Hunt | 1 » 0 |
| 7.30 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | Settimo | 1 » 0 |
| 7.52 | AttenGpKa training set | 1 » 0 |
| 7.90 | QSARToolbox | 1 » 0 |