Molecule ID: mol702

SMILES: Cc1ccccc1S

InChI: InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.64 IUPAC digitized pKa 0 » -1
6.64 OCHEM 0 » -1
6.64 OCHEM 0 » -1
6.64 OCHEM 0 » -1
6.64 Hunt 0 » -1
6.64 OCHEM 0 » -1
6.64 OCHEM 0 » -1
7.00 AttenGpKa training set 0 » -1
8.67 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization