Molecule ID: mol19492

SMILES: O=[N+]([O-])C1=Cc2ccccc2OC1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

InChI: InChI=1S/C15H10N4O7/c20-17(21)11-6-10(7-12(8-11)18(22)23)16-15-13(19(24)25)5-9-3-1-2-4-14(9)26-15/h1-8,15-16H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.53 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization