Molecule ID: mol32643

SMILES: CC1(C)SC2C(NC(=O)Cc3ccc(N)cc3)C(=O)N2C1C(=O)O

InChI: InChI=1S/C16H19N3O4S/c1-16(2)12(15(22)23)19-13(21)11(14(19)24-16)18-10(20)7-8-3-5-9(17)6-4-8/h3-6,11-12,14H,7,17H2,1-2H3,(H,18,20)(H,22,23)

Experimental Macro pKa Values

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