Molecule ID: mol3125
SMILES: CCCNCCNCCC
InChI: InChI=1S/C8H20N2/c1-3-5-9-7-8-10-6-4-2/h9-10H,3-8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.53 | IUPAC digitized pKa | 2 » 1 |
| 7.53 | Datawarrior | 2 » 1 |
| 7.80 | OCHEM | 2 » 1 |
| 7.84 | AttenGpKa training set | 2 » 1 |
| 8.14 | IUPAC digitized pKa | 2 » 1 |
| 10.00 | OCHEM | 1 » 0 |
| 10.27 | IUPAC digitized pKa | 1 » 0 |
| 10.27 | Datawarrior | 1 » 0 |
| 10.27 | OCHEM | 1 » 0 |
| 10.62 | AttenGpKa training set | 1 » 0 |
| 10.97 | IUPAC digitized pKa | 1 » 0 |