Molecule ID: mol523

SMILES: CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(Cl)c1

InChI: InChI=1S/C16H14Cl2O5S/c1-2-24(21,22)11-4-5-12(14(18)8-11)13-7-10(17)3-6-15(13)23-9-16(19)20/h3-8H,2,9H2,1H3,(H,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.40 Hunt 0 » -1
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Charge States and Microspecies Visualization