Molecule ID: mol29354

SMILES: O=C(O)CC1C(=O)c2ccccc2C1=O

InChI: InChI=1S/C11H8O4/c12-9(13)5-8-10(14)6-3-1-2-4-7(6)11(8)15/h1-4,8H,5H2,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization