Molecule ID: mol22832

SMILES: O=Cc1cc(C(=O)O)cc([N+](=O)[O-])c1

InChI: InChI=1S/C8H5NO5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-4H,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization