Molecule ID: mol20515

SMILES: NC(=O)c1cc[n+](Cc2cccc(C[n+]3cccc(/C=N/O)c3)c2)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization