Molecule ID: mol34103

SMILES: CC(=O)C(C(=O)O)C(=O)C(C(C)=O)C(=O)OC(=O)C(C(C)=O)C(=O)C(C(C)=O)C(=O)O

InChI: InChI=1S/C18H18O13/c1-5(19)9(15(25)26)13(23)11(7(3)21)17(29)31-18(30)12(8(4)22)14(24)10(6(2)20)16(27)28/h9-12H,1-4H3,(H,25,26)(H,27,28)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.21 QSARToolbox -4 » -5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization