Molecule ID: mol5800
SMILES: CCNNCC
InChI: InChI=1S/C4H12N2/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.48 | OCHEM | 1 » 0 |
| 7.55 | AttenGpKa training set | 1 » 0 |
| 7.66 | OCHEM | 1 » 0 |
| 7.66 | Datawarrior | 1 » 0 |
| 7.71 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.78 | IUPAC digitized pKa | 1 » 0 |