Molecule ID: mol34923

SMILES: CC1(C)SC(C(NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)O

InChI: InChI=1S/C23H27N3O4S/c1-23(2)19(22(29)30)26-21(31-23)18(20(28)24-14-16-11-7-4-8-12-16)25-17(27)13-15-9-5-3-6-10-15/h3-12,18-19,21,26H,13-14H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)/t18?,19-,21?/m0/s1

Experimental Macro pKa Values

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