Molecule ID: mol31240

SMILES: CC(=O)CC1=C(O)C(=O)c2ccccc2C1=O

InChI: InChI=1S/C13H10O4/c1-7(14)6-10-11(15)8-4-2-3-5-9(8)12(16)13(10)17/h2-5,17H,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization