Molecule ID: mol20233

SMILES: COc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)cc1

InChI: InChI=1S/C17H13NO5S2/c1-22-11-4-2-10(3-5-11)13-7-6-12(23-13)8-14-16(21)18(9-15(19)20)17(24)25-14/h2-8H,9H2,1H3,(H,19,20)/b14-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization