Molecule ID: mol20719

SMILES: CCCS/C(=N\O)C(=O)c1ccc(Br)cc1

InChI: InChI=1S/C11H12BrNO2S/c1-2-7-16-11(13-15)10(14)8-3-5-9(12)6-4-8/h3-6,15H,2,7H2,1H3/b13-11-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization