Molecule ID: mol38322
SMILES: CCCCOc1c2cc(CN)cc1Cc1cc(CN)cc(c1OCCCC)Cc1cc(CN)cc(c1OCCCC)Cc1cc(CN)cc(c1OCCCC)C2
InChI: InChI=1S/C48H68N4O4/c1-5-9-13-53-45-37-17-33(29-49)18-38(45)26-40-20-35(31-51)22-42(47(40)55-15-11-7-3)28-44-24-36(32-52)23-43(48(44)56-16-12-8-4)27-41-21-34(30-50)19-39(25-37)46(41)54-14-10-6-2/h17-24H,5-16,25-32,49-52H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | QSARToolbox | 2 » 1 |