Molecule ID: mol29327

SMILES: C=CC(NC(C)=S)C(=O)O

InChI: InChI=1S/C6H9NO2S/c1-3-5(6(8)9)7-4(2)10/h3,5H,1H2,2H3,(H,7,10)(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization