Molecule ID: mol29920

SMILES: O=C(O)[C@H]1OC(Oc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O

InChI: InChI=1S/C12H13BrO7/c13-5-1-3-6(4-2-5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12?/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization