Molecule ID: mol23918

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

InChI: InChI=1S/C7H7N3O5/c11-4-8-5-1-6(9(12)13)3-7(2-5)10(14)15/h1-3,8,11H,4H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.40 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization