Molecule ID: mol34724

SMILES: CC(=O)NCCSC(=O)C(C#N)C(C)=O

InChI: InChI=1S/C9H12N2O3S/c1-6(12)8(5-10)9(14)15-4-3-11-7(2)13/h8H,3-4H2,1-2H3,(H,11,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.70 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization