Molecule ID: mol2821

SMILES: CCc1ccc(/C=C2/SC(=S)NC2=O)cc1

InChI: InChI=1S/C12H11NOS2/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.80 Novartis 0 » -1
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Charge States and Microspecies Visualization