Molecule ID: mol31651

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

InChI: InChI=1S/C17H20N4O2/c22-18-14-16-4-10-20(11-5-16)8-2-1-3-9-21-12-6-17(7-13-21)15-19-23/h4-7,10-15H,1-3,8-9H2/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization