Molecule ID: mol25108

SMILES: C[n+]1cccc(NS(C)(=O)=O)c1

InChI: InChI=1S/C7H11N2O2S/c1-9-5-3-4-7(6-9)8-12(2,10)11/h3-6,8H,1-2H3/q+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.55 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization