Molecule ID: mol23913

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

InChI: InChI=1S/C8H9N3O4/c1-5-3-6(10(12)13)8(9-2)7(4-5)11(14)15/h3-4,9H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.24 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization