Molecule ID: mol34584
SMILES: c1cc(CN2CCNCCNCCNCC2)nc(CN2CCNCCNCCNCC2)c1
InChI: InChI=1S/C23H45N9/c1-2-22(20-31-16-12-26-8-4-24-5-9-27-13-17-31)30-23(3-1)21-32-18-14-28-10-6-25-7-11-29-15-19-32/h1-3,24-29H,4-21H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.37 | QSARToolbox | 6 » 5 |
| 3.49 | QSARToolbox | 6 » 5 |
| 3.56 | QSARToolbox | 6 » 5 |
| 3.71 | QSARToolbox | 6 » 5 |
| 7.84 | QSARToolbox | 3 » 2 |