Molecule ID: mol20951

SMILES: COCC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1

InChI: InChI=1S/C10H15NO7S3/c1-17-7-8(12)18-5-2-6-20(13,14)9-3-4-10(19-9)21(11,15)16/h3-4H,2,5-7H2,1H3,(H2,11,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.10 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization