Molecule ID: mol21754

SMILES: CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O

InChI: InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)

Experimental Macro pKa Values

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