Molecule ID: mol37338

SMILES: O=C(O)[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O

InChI: InChI=1S/C16H16O7/c17-11-12(18)14(15(20)21)23-16(13(11)19)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-14,16-19H,(H,20,21)/t11-,12-,13+,14-,16+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.97 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization