Molecule ID: mol3093
SMILES: CCCCNCCN
InChI: InChI=1S/C6H16N2/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 2 » 1 |
| 7.53 | IUPAC digitized pKa | 2 » 1 |
| 7.53 | Datawarrior | 2 » 1 |
| 7.53 | AttenGpKa training set | 2 » 1 |
| 8.11 | IUPAC digitized pKa | 2 » 1 |
| 10.30 | IUPAC digitized pKa | 1 » 0 |
| 10.30 | Datawarrior | 1 » 0 |
| 10.30 | OCHEM | 1 » 0 |
| 10.30 | OCHEM | 1 » 0 |
| 10.30 | AttenGpKa training set | 1 » 0 |
| 10.93 | IUPAC digitized pKa | 1 » 0 |