Molecule ID: mol23502

SMILES: CC/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O

InChI: InChI=1S/C11H11NO4/c1-2-9(11(13)14)7-8-3-5-10(6-4-8)12(15)16/h3-7H,2H2,1H3,(H,13,14)/b9-7+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.66 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization