Molecule ID: mol26835

SMILES: CC(=O)NC1=C(O)CCC1=O

InChI: InChI=1S/C7H9NO3/c1-4(9)8-7-5(10)2-3-6(7)11/h10H,2-3H2,1H3,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization