Molecule ID: mol22247

SMILES: CC(SC#N)C(=O)O

InChI: InChI=1S/C4H5NO2S/c1-3(4(6)7)8-2-5/h3H,1H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization