Molecule ID: mol23471

SMILES: COC(=O)c1ccc(OCC(=O)O)cc1

InChI: InChI=1S/C10H10O5/c1-14-10(13)7-2-4-8(5-3-7)15-6-9(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
2.91 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization