Molecule ID: mol29316

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

InChI: InChI=1S/C6H9NO3/c1-3-5(6(9)10)7-4(2)8/h3,5H,1H2,2H3,(H,7,8)(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization