Molecule ID: mol1946

SMILES: COc1cccc(S)c1

InChI: InChI=1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.39 IUPAC digitized pKa 0 » -1
6.39 QSARToolbox 0 » -1
6.39 QSARToolbox 0 » -1
6.39 OCHEM 0 » -1
6.39 Datawarrior 0 » -1
6.39 OCHEM 0 » -1
6.39 Hunt 0 » -1
6.39 AttenGpKa training set 0 » -1
6.40 OCHEM 0 » -1
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Charge States and Microspecies Visualization