Molecule ID: mol12527

SMILES: O=C(O)C#CSc1ccccc1

InChI: InChI=1S/C9H6O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.11 QSARToolbox 0 » -1
2.11 QSARToolbox 0 » -1
2.11 OCHEM 0 » -1
2.11 Datawarrior 0 » -1
2.11 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization