Molecule ID: mol16642

SMILES: CSCCNCc1cc2cc(S(N)(=O)=O)sc2s1

InChI: InChI=1S/C10H14N2O2S4/c1-15-3-2-12-6-8-4-7-5-9(18(11,13)14)17-10(7)16-8/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization