Molecule ID: mol31655

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

InChI: InChI=1S/C22H30N4O2/c27-23-19-21-9-15-25(16-10-21)13-7-5-3-1-2-4-6-8-14-26-17-11-22(12-18-26)20-24-28/h9-12,15-20H,1-8,13-14H2/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization