Molecule ID: mol12163

SMILES: O=C(O)c1cc(N=Nc2ccccc2[N+](=O)[O-])c2ccccc2c1O

InChI: InChI=1S/C17H11N3O5/c21-16-11-6-2-1-5-10(11)14(9-12(16)17(22)23)19-18-13-7-3-4-8-15(13)20(24)25/h1-9,21H,(H,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.69 IUPAC digitized pKa -1 » -2
11.69 OCHEM -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization