Molecule ID: mol2025

SMILES: COC(=O)[C@@](C)(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C13H15NO6/c1-13(8-11(15)16,12(17)20-2)7-9-3-5-10(6-4-9)14(18)19/h3-6H,7-8H2,1-2H3,(H,15,16)/t13-/m1/s1

Experimental Macro pKa Values

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