Molecule ID: mol23692

SMILES: O=C(O)c1ccc(-c2cccc(OC3OC(CO)C(O)C(O)C3O)c2)cc1

InChI: InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-3-1-2-12(8-13)10-4-6-11(7-5-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization