Molecule ID: mol25355

SMILES: COc1nc([N+](=O)[O-])c[nH]1

InChI: InChI=1S/C4H5N3O3/c1-10-4-5-2-3(6-4)7(8)9/h2H,1H3,(H,5,6)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.90 AttenGpKa training set 1 » 0
6.06 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization