Molecule ID: mol14444
SMILES: CCN(CC)CC(=O)Nc1ccccc1C
InChI: InChI=1S/C13H20N2O/c1-4-15(5-2)10-13(16)14-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3,(H,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | QSARToolbox | 1 » 0 |
| 7.95 | OCHEM | 1 » 0 |
| 7.95 | Datawarrior | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |