Molecule ID: mol24002

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

InChI: InChI=1S/C8H7N3O6/c1-9-7-5(10(14)15)2-4(8(12)13)3-6(7)11(16)17/h2-3,9H,1H3,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.44 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization