Molecule ID: mol3120
SMILES: CCNCCNCC
InChI: InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.96 | IUPAC digitized pKa | 2 » 1 |
| 7.70 | IUPAC digitized pKa | 2 » 1 |
| 7.70 | Datawarrior | 2 » 1 |
| 7.70 | AttenGpKa training set | 2 » 1 |
| 8.00 | OCHEM | 2 » 1 |
| 8.53 | IUPAC digitized pKa | 2 » 1 |
| 10.16 | IUPAC digitized pKa | 1 » 0 |
| 10.16 | OCHEM | 1 » 0 |
| 10.46 | IUPAC digitized pKa | 1 » 0 |
| 10.46 | Datawarrior | 1 » 0 |
| 10.46 | OCHEM | 1 » 0 |
| 10.46 | AttenGpKa training set | 1 » 0 |
| 11.06 | IUPAC digitized pKa | 1 » 0 |
| 11.06 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |