Molecule ID: mol23992

SMILES: CNc1c([N+](=O)[O-])cc(C(C)=O)cc1[N+](=O)[O-]

InChI: InChI=1S/C9H9N3O5/c1-5(13)6-3-7(11(14)15)9(10-2)8(4-6)12(16)17/h3-4,10H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.81 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization