Molecule ID: mol20968

SMILES: CC(=O)OCCCCc1ccc(S(N)(=O)=O)cc1

InChI: InChI=1S/C12H17NO4S/c1-10(14)17-9-3-2-4-11-5-7-12(8-6-11)18(13,15)16/h5-8H,2-4,9H2,1H3,(H2,13,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization