Molecule ID: mol24221

SMILES: O=[N+]([O-])c1ccc(/N=N/c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)cc1

InChI: InChI=1S/C18H13N5O4/c24-22(25)17-9-5-14(6-10-17)19-13-1-3-15(4-2-13)20-21-16-7-11-18(12-8-16)23(26)27/h1-12,19H/b21-20+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization