Molecule ID: mol20510

SMILES: NC(=O)c1cc[n+](Cc2ccc(C[n+]3cccc(/C=N/O)c3)cc2)cc1

InChI: InChI=1S/C20H18N4O2/c21-20(25)19-7-10-23(11-8-19)13-16-3-5-17(6-4-16)14-24-9-1-2-18(15-24)12-22-26/h1-12,15H,13-14H2,(H-2,21,25,26)/p+2/b22-12+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.77 OCHEM 2 » 1
8.77 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization