Molecule ID: mol21179

SMILES: NS(=O)(=O)c1cc(C(=O)c2cccc(CN3CCOCC3)c2)cs1

InChI: InChI=1S/C16H18N2O4S2/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-2-12(8-13)10-18-4-6-22-7-5-18/h1-3,8-9,11H,4-7,10H2,(H2,17,20,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.03 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization