Molecule ID: mol15035
SMILES: CCN(CC)CC(=O)NC1c2ccccc2-c2ccccc21
InChI: InChI=1S/C19H22N2O/c1-3-21(4-2)13-18(22)20-19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-12,19H,3-4,13H2,1-2H3,(H,20,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.98 | Datawarrior | 1 » 0 |
| 7.98 | OCHEM | 1 » 0 |
| 7.98 | OCHEM | 1 » 0 |
| 7.98 | QSARToolbox | 1 » 0 |