Molecule ID: mol18521

SMILES: Oc1cccc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc12

InChI: InChI=1S/C15H16O6/c16-11-3-1-2-8-6-9(4-5-10(8)11)21-15-14(19)13(18)12(17)7-20-15/h1-6,12-19H,7H2/t12-,13+,14-,15+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization