Molecule ID: mol3131
SMILES: N#CCCNCCC#N
InChI: InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | QSARToolbox | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | AttenGpKa training set | 1 » 0 |
| 5.23 | Datawarrior | 1 » 0 |
| 5.23 | OCHEM | 1 » 0 |
| 5.23 | OCHEM | 1 » 0 |
| 5.26 | IUPAC digitized pKa | 1 » 0 |
| 5.26 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.26 | QSARToolbox | 1 » 0 |