Molecule ID: mol3574
SMILES: CN(C)CCN1CCCCC1
InChI: InChI=1S/C9H20N2/c1-10(2)8-9-11-6-4-3-5-7-11/h3-9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.97 | QSARToolbox | 2 » 1 |
| 5.97 | QSARToolbox | 2 » 1 |
| 5.98 | IUPAC digitized pKa | 2 » 1 |
| 9.40 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |
| 9.43 | QSARToolbox | 1 » 0 |