Molecule ID: mol18931

SMILES: O=C(O[C@@H]1C[C@@H]2N[C@H](C1)[C@@H]1O[C@@H]12)[C@H](CO)c1ccccc1

InChI: InChI=1S/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2/t10-,11-,12+,13-,14-,15+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.09 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization