Molecule ID: mol23392

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

InChI: InChI=1S/C9H7NO4/c1-6(9(11)12)7-3-2-4-8(5-7)10(13)14/h2-5H,1H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization