Molecule ID: mol34973
SMILES: CC1c2cc(c(O)c(CN3CCCCC3)c2O)C(C)c2cc(c(O)c(CN3CCCCC3)c2O)C(C)c2cc(c(O)c(CN3CCCCC3)c2O)C(C)c2cc1c(O)c(CN1CCCCC1)c2O
InChI: InChI=1S/C56H76N4O8/c1-33-37-25-39(51(63)45(49(37)61)29-57-17-9-5-10-18-57)34(2)41-27-43(55(67)47(53(41)65)31-59-21-13-7-14-22-59)36(4)44-28-42(54(66)48(56(44)68)32-60-23-15-8-16-24-60)35(3)40-26-38(33)50(62)46(52(40)64)30-58-19-11-6-12-20-58/h25-28,33-36,61-68H,5-24,29-32H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.10 | QSARToolbox | -2 » -3 |