Molecule ID: mol469

SMILES: COc1ccc(S)cc1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.76 Datawarrior 0 » -1
6.76 OCHEM 0 » -1
6.77 OCHEM 0 » -1
6.77 Hunt 0 » -1
6.78 IUPAC digitized pKa 0 » -1
6.78 AttenGpKa training set 0 » -1
6.80 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization