Molecule ID: mol1462
SMILES: NCCCl
InChI: InChI=1S/C2H6ClN/c3-1-2-4/h1-2,4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.44 | AttenGpKa training set | 1 » 0 |
| 8.49 | QSARToolbox | 1 » 0 |
| 8.49 | OCHEM | 1 » 0 |
| 8.49 | Datawarrior | 1 » 0 |
| 8.56 | IUPAC digitized pKa | 1 » 0 |
| 8.56 | OCHEM | 1 » 0 |
| 8.56 | Hunt | 1 » 0 |
| 8.56 | OCHEM | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.77 | QSARToolbox | 1 » 0 |