Molecule ID: mol20966

SMILES: NS(=O)(=O)c1ccc(SCCCO)c(C(=O)O)c1

InChI: InChI=1S/C10H13NO5S2/c11-18(15,16)7-2-3-9(17-5-1-4-12)8(6-7)10(13)14/h2-3,6,12H,1,4-5H2,(H,13,14)(H2,11,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.94 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization