Molecule ID: mol23965

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

InChI: InChI=1S/C8H9N3O5/c1-9-8-6(10(12)13)3-5(16-2)4-7(8)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
-0.63 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization