Molecule ID: mol35498

SMILES: N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](OCc2ccccc2)[C@@H]1O

InChI: InChI=1S/C13H17NO4/c14-10-11(15)12(9-7-17-13(10)18-9)16-6-8-4-2-1-3-5-8/h1-5,9-13,15H,6-7,14H2/t9-,10-,11-,12-,13-/m1/s1

Experimental Macro pKa Values

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