Molecule ID: mol18525

SMILES: Oc1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc2ccccc12

InChI: InChI=1S/C15H16O6/c16-10-7-20-15(14(19)13(10)18)21-11-6-5-8-3-1-2-4-9(8)12(11)17/h1-6,10,13-19H,7H2/t10-,13+,14-,15+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.72 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization