Molecule ID: mol18950

SMILES: O/N=C\c1cccc[n+]1COCCOC[n+]1ccccc1/C=N/O

InChI: InChI=1S/C16H18N4O4/c21-17-11-15-5-1-3-7-19(15)13-23-9-10-24-14-20-8-4-2-6-16(20)12-18-22/h1-8,11-12H,9-10,13-14H2/p+2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.02 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization