Molecule ID: mol2288
SMILES: O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
InChI: InChI=1S/C23H26Cl3N3O4S/c24-16-1-4-20(5-2-16)34(31,32)27-23(30)29-11-7-17(8-12-29)28-13-9-18(10-14-28)33-19-3-6-21(25)22(26)15-19/h1-6,15,17-18H,7-14H2,(H,27,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | Hunt | 2 » 1 |
| 8.20 | Hunt | 0 » -1 |