Molecule ID: mol853
SMILES: NCCBr
InChI: InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.52 | QSARToolbox | 1 » 0 |
| 8.36 | QSARToolbox | 1 » 0 |
| 8.46 | AttenGpKa training set | 1 » 0 |
| 8.49 | QSARToolbox | 1 » 0 |
| 8.49 | QSARToolbox | 1 » 0 |
| 8.49 | IUPAC digitized pKa | 1 » 0 |
| 8.49 | OCHEM | 1 » 0 |
| 8.49 | Hunt | 1 » 0 |
| 8.49 | OCHEM | 1 » 0 |
| 8.50 | Datawarrior | 1 » 0 |
| 8.50 | OCHEM | 1 » 0 |
| 8.65 | QSARToolbox | 1 » 0 |
| 8.65 | OCHEM | 1 » 0 |