Molecule ID: mol3588
SMILES: C1CCN(CCN2CCCCC2)CC1
InChI: InChI=1S/C12H24N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.12 | Datawarrior | 2 » 1 |
| 6.25 | IUPAC digitized pKa | 2 » 1 |
| 6.25 | QSARToolbox | 2 » 1 |
| 6.55 | OCHEM | 2 » 1 |
| 9.17 | OCHEM | 1 » 0 |
| 9.43 | Datawarrior | 1 » 0 |
| 9.43 | OCHEM | 1 » 0 |
| 9.47 | IUPAC digitized pKa | 1 » 0 |
| 9.47 | QSARToolbox | 1 » 0 |