Molecule ID: mol558
SMILES: CN(C)c1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1
InChI: InChI=1S/C25H32Cl2N4O4S/c1-29(2)18-3-6-22(7-4-18)36(33,34)28-25(32)31-13-9-19(10-14-31)30-15-11-20(12-16-30)35-21-5-8-23(26)24(27)17-21/h3-8,17,19-20H,9-16H2,1-2H3,(H,28,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | Hunt | 1 » 0 |
| 6.10 | Hunt | 1 » 0 |