Molecule ID: mol23872

SMILES: CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

InChI: InChI=1S/C7H7N3O4/c1-8-7-5(9(11)12)3-2-4-6(7)10(13)14/h2-4,8H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.14 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization