Molecule ID: mol20509

SMILES: NC(=O)c1ccc[n+](Cc2ccc(C[n+]3cccc(/C=N/O)c3)cc2)c1

InChI: InChI=1S/C20H18N4O2/c21-20(25)19-4-2-10-24(15-19)13-17-7-5-16(6-8-17)12-23-9-1-3-18(14-23)11-22-26/h1-11,14-15H,12-13H2,(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
8.79 OCHEM 2 » 1
8.79 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization