Molecule ID: mol22979

SMILES: CC(=O)Nc1cc(C(=O)O)ccc1C(=O)O

InChI: InChI=1S/C10H9NO5/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization