Molecule ID: mol561
SMILES: Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1
InChI: InChI=1S/C25H31Cl2N3O4S/c1-17-3-5-21(6-4-17)35(32,33)28-25(31)30-13-9-19(10-14-30)29-15-11-20(12-16-29)34-23-8-7-22(26)18(2)24(23)27/h3-8,19-20H,9-16H2,1-2H3,(H,28,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | Hunt | 2 » 1 |
| 3.20 | Hunt | 2 » 1 |
| 8.70 | Hunt | 0 » -1 |
| 8.70 | Hunt | 0 » -1 |