Molecule ID: mol1815
SMILES: N#CCCN
InChI: InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | AttenGpKa training set | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.70 | IUPAC digitized pKa | 1 » 0 |
| 7.70 | OCHEM | 1 » 0 |
| 7.70 | OCHEM | 1 » 0 |
| 7.75 | Datawarrior | 1 » 0 |
| 7.75 | OCHEM | 1 » 0 |
| 7.75 | OCHEM | 1 » 0 |
| 7.75 | Hunt | 1 » 0 |
| 7.80 | IUPAC digitized pKa | 1 » 0 |
| 7.80 | OCHEM | 1 » 0 |
| 7.80 | QSARToolbox | 1 » 0 |
| 7.80 | QSARToolbox | 1 » 0 |
| 7.91 | QSARToolbox | 1 » 0 |