Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HP87YJ8FE3
EPA CompTox DTXSID40207556

Structure

InChI Key FJBNKINHDKQRFO-UHFFFAOYSA-N
Smiles BrCc1c(Br)c(CBr)c(CBr)c(CBr)c1CBr
InChI
InChI=1S/C11H10Br6/c12-1-6-7(2-13)9(4-15)11(17)10(5-16)8(6)3-14/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10Br6
Molecular Weight 615.59
AlogP 6.92
Number of Rotational Bond 5.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 58828-53-8
NORMAN SUSDAT
FDA SRS HP87YJ8FE3
PubChem 100860
ChemSpider 91128.0