Molecule ID: mol23528

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

InChI: InChI=1S/C8H6N2O6/c11-8(12)3-5-1-6(9(13)14)4-7(2-5)10(15)16/h1-2,4H,3H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization