Molecule ID: mol2912

SMILES: Cc1ccc(C)n1-c1ccc(SCC(=O)O)cc1

InChI: InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)

Experimental Macro pKa Values

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