Molecule ID: mol20514

SMILES: NC(=O)c1ccc[n+](Cc2cccc(C[n+]3cccc(/C=N/O)c3)c2)c1

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

Charge States and Microspecies Visualization