Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 93GTV466OK

Structure

InChI Key IYBWSZOVXDTAGU-UHFFFAOYSA-N
Smiles BrC1=CC=CC(=C1Br)C1=CC=CC(Br)=C1Br
InChI
InChI=1S/C12H6Br4/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H6Br4
Molecular Weight 465.72
AlogP 6.4
Number of Rotational Bond 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
NORMAN SUSDAT
FDA SRS 93GTV466OK
PubChem 23620629