Molecule ID: mol32196

SMILES: CCOC(=O)Cc1csc(NC(=O)C[n+]2ccc(/C=N/O)cc2)n1

InChI: InChI=1S/C15H16N4O4S/c1-2-23-14(21)7-12-10-24-15(17-12)18-13(20)9-19-5-3-11(4-6-19)8-16-22/h3-6,8,10H,2,7,9H2,1H3,(H,17,18,20)/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.42 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization