Molecule ID: mol35627
SMILES: CCN(CC)C(=O)c1cccc(C(=O)N(C)CCCN(CCCN(C)C(=O)c2cccc(C(=O)N(CC)CC)n2)CCCN(C)C(=O)c2cccc(C(=O)N(CC)CC)n2)n1
InChI: InChI=1S/C45H66N10O6/c1-10-53(11-2)43(59)37-25-16-22-34(46-37)40(56)49(7)28-19-31-52(32-20-29-50(8)41(57)35-23-17-26-38(47-35)44(60)54(12-3)13-4)33-21-30-51(9)42(58)36-24-18-27-39(48-36)45(61)55(14-5)15-6/h16-18,22-27H,10-15,19-21,28-33H2,1-9H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.43 | QSARToolbox | 1 » 0 |