Molecule ID: mol22822

SMILES: COC(=O)c1ccccc1CC(=O)O

InChI: InChI=1S/C10H10O4/c1-14-10(13)8-5-3-2-4-7(8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization