Molecule ID: mol14457

SMILES: CCN(CC)S(=O)(=O)c1ccsc1C(=O)O

InChI: InChI=1S/C9H13NO4S2/c1-3-10(4-2)16(13,14)7-5-6-15-8(7)9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.77 QSARToolbox 0 » -1
2.77 Datawarrior 0 » -1
2.77 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization