Molecule ID: mol477

SMILES: SCc1ccccc1

InChI: InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization