Molecule ID: mol21751

SMILES: COc1cccc(OC)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O

InChI: InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.77 Organic Oxygen Acids and Nitrogen Bases 0 » -1
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Charge States and Microspecies Visualization