Molecule ID: mol11166

SMILES: Oc1ccc(N=Nc2ncc(Br)s2)c(O)c1

InChI: InChI=1S/C9H6BrN3O2S/c10-8-4-11-9(16-8)13-12-6-2-1-5(14)3-7(6)15/h1-4,14-15H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.50 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization