Molecule ID: mol9814

SMILES: CCC(C)SCC(=O)O

InChI: InChI=1S/C6H12O2S/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.77 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization