Molecule ID: mol31642

SMILES: O/N=C/c1cc[n+](CC[n+]2ccc(/C=N/O)cc2)cc1

InChI: InChI=1S/C14H14N4O2/c19-15-11-13-1-5-17(6-2-13)9-10-18-7-3-14(4-8-18)12-16-20/h1-8,11-12H,9-10H2/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization