Molecule ID: mol14629
SMILES: c1ccc2c(c1)CNCCCNCc1ccccc1OCCCO2
InChI: InChI=1S/C20H26N2O2/c1-3-9-19-17(7-1)15-21-11-5-12-22-16-18-8-2-4-10-20(18)24-14-6-13-23-19/h1-4,7-10,21-22H,5-6,11-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.71 | QSARToolbox | 2 » 1 |
| 7.89 | Datawarrior | 2 » 1 |
| 10.04 | Datawarrior | 1 » 0 |
| 10.04 | OCHEM | 1 » 0 |