Molecule ID: mol10997

SMILES: Cc1cc(C)c([N+](=O)[O-])cc1C([N+](=O)[O-])[N+](=O)[O-]

InChI: InChI=1S/C9H9N3O6/c1-5-3-6(2)8(10(13)14)4-7(5)9(11(15)16)12(17)18/h3-4,9H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.91 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization