Molecule ID: mol17959

SMILES: NC(=O)c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1

InChI: InChI=1S/C15H16N4O2/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21/h2-5,8-12H,1,6-7H2,(H-,16,20)/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization