Molecule ID: mol20519

SMILES: NC(=O)c1ccc[n+](Cc2ccccc2C[n+]2cccc(/C=N/O)c2)c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization