Molecule ID: mol15071

SMILES: CN1[C@@H]2C[C@H](OC(=O)C(CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12

InChI: InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13+,14-,15-,16+

Experimental Macro pKa Values

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