Molecule ID: mol34472

SMILES: CC(C)NC1=NS(=O)(=O)c2cc(C#N)ccc2N1

InChI: InChI=1S/C11H12N4O2S/c1-7(2)13-11-14-9-4-3-8(6-12)5-10(9)18(16,17)15-11/h3-5,7H,1-2H3,(H2,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.56 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization