Molecule ID: mol37336

SMILES: O=C(O)[C@H]1O[C@@H](Oc2ccc3nccc(O)c3c2)[C@H](O)[C@@H](O)[C@@H]1O

InChI: InChI=1S/C15H15NO8/c17-9-3-4-16-8-2-1-6(5-7(8)9)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-5,10-13,15,18-20H,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1

Experimental Macro pKa Values

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