Molecule ID: mol15653
SMILES: c1ccc2c(c1)CNCCCNCc1ccccc1OCCO2
InChI: InChI=1S/C19H24N2O2/c1-3-8-18-16(6-1)14-20-10-5-11-21-15-17-7-2-4-9-19(17)23-13-12-22-18/h1-4,6-9,20-21H,5,10-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.63 | QSARToolbox | 2 » 1 |
| 7.82 | Datawarrior | 2 » 1 |
| 9.82 | OCHEM | 1 » 0 |
| 9.82 | Datawarrior | 1 » 0 |