Molecule ID: mol25713

SMILES: C[n+]1ccc(S)cn1

InChI: InChI=1S/C5H6N2S/c1-7-3-2-5(8)4-6-7/h2-4H,1H3/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.83 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization