Molecule ID: mol35263
SMILES: NCCN1CCCCCCN(CCN)c2ccc(cc2)Cc2ccc(cc2)N(CCN)CCCCCCN(CCN)c2ccc(cc2)Cc2ccc1cc2
InChI: InChI=1S/C46H68N8/c47-25-33-51-29-5-1-2-6-30-52(34-26-48)44-19-11-40(12-20-44)38-42-15-23-46(24-16-42)54(36-28-50)32-8-4-3-7-31-53(35-27-49)45-21-13-41(14-22-45)37-39-9-17-43(51)18-10-39/h9-24H,1-8,25-38,47-50H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.65 | QSARToolbox | 3 » 2 |