Molecule ID: mol14447
SMILES: CCN(CC)CC(=O)Nc1ccc(C)cc1
InChI: InChI=1S/C13H20N2O/c1-4-15(5-2)10-13(16)14-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.13 | Datawarrior | 1 » 0 |
| 8.13 | OCHEM | 1 » 0 |
| 8.13 | QSARToolbox | 1 » 0 |
| 8.17 | QSARToolbox | 1 » 0 |