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

Structure

InChI Key IKGMIRAZNOAXEA-UHFFFAOYSA-N
Smiles BrC1CCC=CCCC(Br)C(Br)CCC1Br
InChI
InChI=1S/C12H18Br4/c13-9-5-3-1-2-4-6-10(14)12(16)8-7-11(9)15/h1-2,9-12H,3-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18Br4
Molecular Weight 477.81
AlogP 5.95
Heavy Atoms 16.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 5250820
ChemSpider 9583940.0