Molecule ID: mol18061
SMILES: c1ccc2c(CNCCN3CCOCC3)c3ccccc3c(CNCCN3CCOCC3)c2c1
InChI: InChI=1S/C28H38N4O2/c1-2-6-24-23(5-1)27(21-29-9-11-31-13-17-33-18-14-31)25-7-3-4-8-26(25)28(24)22-30-10-12-32-15-19-34-20-16-32/h1-8,29-30H,9-22H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | Baltruschat ChEMBL | 4 » 3 |
| 6.30 | Baltruschat ChEMBL | 2 » 1 |
| 7.50 | Baltruschat ChEMBL | 1 » 0 |
| 8.50 | Baltruschat ChEMBL | 1 » 0 |