Molecule ID: mol11572

SMILES: CCC(C(=O)O)(C(=O)O)c1ccc(Cl)cc1

InChI: InChI=1S/C11H11ClO4/c1-2-11(9(13)14,10(15)16)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,14)(H,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.86 IUPAC digitized pKa -1 » -2
6.90 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization