Molecule ID: mol14933
SMILES: CCN(CC)CC(=O)NC1CCc2ccccc21
InChI: InChI=1S/C15H22N2O/c1-3-17(4-2)11-15(18)16-14-10-9-12-7-5-6-8-13(12)14/h5-8,14H,3-4,9-11H2,1-2H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.19 | QSARToolbox | 1 » 0 |
| 8.19 | OCHEM | 1 » 0 |
| 8.19 | Datawarrior | 1 » 0 |
| 8.19 | OCHEM | 1 » 0 |