Molecule ID: mol7756

SMILES: Cc1ccc2cccc(S)c2n1

InChI: InChI=1S/C10H9NS/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.28 QSARToolbox 1 » 0
2.28 IUPAC digitized pKa 1 » 0
9.06 IUPAC digitized pKa 0 » -1
9.60 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization