Molecule ID: mol15159
SMILES: O=C(CN1CCCCC1)NCc1ccccc1
InChI: InChI=1S/C14H20N2O/c17-14(12-16-9-5-2-6-10-16)15-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.71 | Datawarrior | 1 » 0 |
| 7.71 | OCHEM | 1 » 0 |
| 7.71 | OCHEM | 1 » 0 |
| 7.71 | QSARToolbox | 1 » 0 |