Molecule ID: mol9471

SMILES: O=C1N=C(O)C(Br)=CC1(Br)Br

InChI: InChI=1S/C5H2Br3NO2/c6-2-1-5(7,8)4(11)9-3(2)10/h1H,(H,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization