Molecule ID: mol14631
SMILES: CCCN(CCC)CC(=O)NC1c2ccccc2-c2ccccc21
InChI: InChI=1S/C21H26N2O/c1-3-13-23(14-4-2)15-20(24)22-21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.28 | Datawarrior | 1 » 0 |
| 7.28 | OCHEM | 1 » 0 |
| 7.28 | OCHEM | 1 » 0 |
| 7.28 | QSARToolbox | 1 » 0 |