Molecule ID: mol12645

SMILES: CC(=O)N1C[S+]([O-])CC1C(=O)O

InChI: InChI=1S/C6H9NO4S/c1-4(8)7-3-12(11)2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization