Molecule ID: mol23563

SMILES: CCC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O

InChI: InChI=1S/C12H13NO4/c1-2-4-10(12(14)15)7-9-5-3-6-11(8-9)13(16)17/h3,5-8H,2,4H2,1H3,(H,14,15)/b10-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization