Molecule ID: mol25543

SMILES: O=[N+]([O-])c1n[nH]c(-c2nc([N+](=O)[O-])n[nH]2)n1

InChI: InChI=1S/C4H2N8O4/c13-11(14)3-5-1(7-9-3)2-6-4(10-8-2)12(15)16/h(H,5,7,9)(H,6,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization