Molecule ID: mol25186

SMILES: Cc1cc([N+](=O)[O-])cc(C)[n+]1O

InChI: InChI=1S/C7H9N2O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.54 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization