Molecule ID: mol557
SMILES: COc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1
InChI: InChI=1S/C24H29Cl2N3O5S/c1-33-18-2-5-21(6-3-18)35(31,32)27-24(30)29-12-8-17(9-13-29)28-14-10-19(11-15-28)34-20-4-7-22(25)23(26)16-20/h2-7,16-17,19H,8-15H2,1H3,(H,27,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | Hunt | 2 » 1 |
| 3.60 | Hunt | 2 » 1 |
| 8.30 | Hunt | 0 » -1 |
| 8.30 | Hunt | 0 » -1 |