Molecule ID: mol815

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

InChI: InChI=1S/C14H17NO6/c1-3-14(13(17)18,9-12(16)21-2)8-10-4-6-11(7-5-10)15(19)20/h4-7H,3,8-9H2,1-2H3,(H,17,18)/t14-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.70 Hunt 0 » -1
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Charge States and Microspecies Visualization