Molecule ID: mol26049

SMILES: O=[N+]([O-])c1ccc(-n2nnnc2-c2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1

InChI: InChI=1S/C14H8N10O4/c25-23(26)11-5-1-9(2-6-11)21-13(15-17-19-21)14-16-18-20-22(14)10-3-7-12(8-4-10)24(27)28/h1-8H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-8.14 AttenGpKa training set 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization