Molecule ID: mol1972

SMILES: O=C(NS(=O)(=O)c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

InChI: InChI=1S/C23H27Cl2N3O4S/c24-21-7-6-19(16-22(21)25)32-18-10-14-27(15-11-18)17-8-12-28(13-9-17)23(29)26-33(30,31)20-4-2-1-3-5-20/h1-7,16-18H,8-15H2,(H,26,29)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.30 Hunt 2 » 1
8.10 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization