Molecule ID: mol16758

SMILES: CCN(CC)Cc1no[n+]([O-])c1C#N

InChI: InChI=1S/C8H12N4O2/c1-3-11(4-2)6-7-8(5-9)12(13)14-10-7/h3-4,6H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.80 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization