Molecule ID: mol8650

SMILES: Cc1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-]

InChI: InChI=1S/C8H7N3O5/c1-4-6(10(13)14)2-5(8(9)12)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.69 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization