Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DM7XY6W5RZ
EPA CompTox DTXSID4062985

Structure

InChI Key ZJJATABWMGVVRZ-UHFFFAOYSA-N
Smiles BrCCCCCCCCCCCCBr
InChI
InChI=1S/C12H24Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24Br2
Molecular Weight 326.02
AlogP 5.68
Number of Rotational Bond 11.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 3344-70-5
NORMAN SUSDAT
FDA SRS DM7XY6W5RZ
PubChem 18766
ChemSpider 17720.0