Molecule ID: mol6261

SMILES: O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1

InChI: InChI=1S/C13H10ClN3O4/c14-10-3-1-9(2-4-10)8-15-12-6-5-11(16(18)19)7-13(12)17(20)21/h1-7,15H,8H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-5.29 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization