Molecule ID: mol22935

SMILES: COc1cc(C(=O)O)c([N+](=O)[O-])cc1O

InChI: InChI=1S/C8H7NO6/c1-15-7-2-4(8(11)12)5(9(13)14)3-6(7)10/h2-3,10H,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization