Molecule ID: mol29423

SMILES: CCC(=O)ONCC(=O)O

InChI: InChI=1S/C5H9NO4/c1-2-5(9)10-6-3-4(7)8/h6H,2-3H2,1H3,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization