Molecule ID: mol37836

SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1CO

InChI: InChI=1S/C16H20N2O4S/c1-16(2)11(8-19)18-14(21)13(15(18)23-16)17-12(20)9-22-10-6-4-3-5-7-10/h3-7,11,13,15,19H,8-9H2,1-2H3,(H,17,20)/t11-,13+,15+/m0/s1

Experimental Macro pKa Values

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