Molecule ID: mol20353

SMILES: Oc1c(Br)cc(I)c2nc3cc(Cl)c(Cl)cc3nc12

InChI: InChI=1S/C12H4BrCl2IN2O/c13-4-1-7(16)10-11(12(4)19)18-9-3-6(15)5(14)2-8(9)17-10/h1-3,19H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization