Molecule ID: mol38140
SMILES: C1CNCCCN2CCCN3CCCNCCCNCCCN(CCCN(CCCNC1)CC2)CC3
InChI: InChI=1S/C28H60N8/c1-9-29-13-3-17-33-21-7-23-35-19-5-15-31-11-2-12-32-16-6-20-36(28-27-35)24-8-22-34(26-25-33)18-4-14-30-10-1/h29-32H,1-28H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | QSARToolbox | 5 » 4 |
| 5.01 | QSARToolbox | 5 » 4 |
| 5.95 | QSARToolbox | 5 » 4 |
| 7.61 | QSARToolbox | 5 » 4 |
| 8.40 | QSARToolbox | 6 » 5 |
| 9.80 | QSARToolbox | 4 » 3 |
| 10.22 | QSARToolbox | 2 » 1 |