Molecule ID: mol28186

SMILES: Nc1ccc(S)cc1

InChI: InChI=1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization