Molecule ID: mol3286
SMILES: C[C@H]1CCCC[C@H]1N
InChI: InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.49 | IUPAC digitized pKa | 1 » 0 |
| 10.60 | IUPAC digitized pKa | 1 » 0 |
| 10.60 | AttenGpKa training set | 1 » 0 |
| 10.60 | QSARToolbox | 1 » 0 |