Molecule ID: mol24104

SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c1

InChI: InChI=1S/C8H8N4O7/c13-2-1-9-8-6(11(16)17)3-5(10(14)15)4-7(8)12(18)19/h3-4,9,13H,1-2H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-7.11 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization