Molecule ID: mol33970

SMILES: CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC

InChI: InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)

Experimental Macro pKa Values

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