Molecule ID: mol3115
SMILES: CCCCNCCNCCCC
InChI: InChI=1S/C10H24N2/c1-3-5-7-11-9-10-12-8-6-4-2/h11-12H,3-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.46 | IUPAC digitized pKa | 2 » 1 |
| 7.46 | Datawarrior | 2 » 1 |
| 7.46 | AttenGpKa training set | 2 » 1 |
| 7.76 | OCHEM | 2 » 1 |
| 8.18 | IUPAC digitized pKa | 2 » 1 |
| 9.90 | OCHEM | 1 » 0 |
| 10.19 | IUPAC digitized pKa | 1 » 0 |
| 10.19 | Datawarrior | 1 » 0 |
| 10.19 | OCHEM | 1 » 0 |
| 10.19 | AttenGpKa training set | 1 » 0 |
| 10.93 | IUPAC digitized pKa | 1 » 0 |