Molecule ID: mol17961

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

InChI: InChI=1S/C16H16N4O2/c17-16(21)15-5-11-20(12-6-15)8-2-1-7-19-9-3-14(4-10-19)13-18-22/h1-6,9-13H,7-8H2,(H-,17,21)/p+2/b2-1-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization