Molecule ID: mol31451

SMILES: O=C(NO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

InChI: InChI=1S/C7H5N3O6/c11-7(8-12)4-1-5(9(13)14)3-6(2-4)10(15)16/h1-3,12H,(H,8,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization