Molecule ID: mol31649

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

InChI: InChI=1S/C16H18N4O2/c21-17-13-15-3-9-19(10-4-15)7-1-2-8-20-11-5-16(6-12-20)14-18-22/h3-6,9-14H,1-2,7-8H2/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization