Molecule ID: mol11634

SMILES: Oc1c(Br)cc(N=Nc2ncc(Br)cc2Br)c(O)c1Br

InChI: InChI=1S/C11H5Br4N3O2/c12-4-1-6(14)11(16-3-4)18-17-7-2-5(13)9(19)8(15)10(7)20/h1-3,19-20H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization