Molecule ID: mol8834
SMILES: N#CCCNN
InChI: InChI=1S/C3H7N3/c4-2-1-3-6-5/h6H,1,3,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.91 | OCHEM | 1 » 0 |
| 5.91 | QSARToolbox | 1 » 0 |
| 5.91 | QSARToolbox | 1 » 0 |
| 5.91 | QSARToolbox | 1 » 0 |
| 5.91 | IUPAC digitized pKa | 1 » 0 |
| 5.91 | Datawarrior | 1 » 0 |
| 5.91 | OCHEM | 1 » 0 |
| 5.91 | AttenGpKa training set | 1 » 0 |