Molecule ID: mol29017

SMILES: O=[N+]([O-])c1ccc(P(=O)(O)O)c([N+](=O)[O-])c1

InChI: InChI=1S/C6H5N2O7P/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12/h1-3H,(H2,13,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.38 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization