Molecule ID: mol36357

SMILES: O=C(O)/C=C(\SC1CCCCC1)C(=O)O

InChI: InChI=1S/C10H14O4S/c11-9(12)6-8(10(13)14)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)(H,13,14)/b8-6-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.89 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization