Molecule ID: mol25596

SMILES: O=[N+]([O-])c1cc(-n2cccn2)cc([N+](=O)[O-])c1[N+](=O)[O-]

InChI: InChI=1S/C9H5N5O6/c15-12(16)7-4-6(11-3-1-2-10-11)5-8(13(17)18)9(7)14(19)20/h1-5H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.97 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization