Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M7FH2T4N5G
EPA CompTox DTXSID3068049

Structure

InChI Key SDENLXLNLFKRAR-UHFFFAOYSA-N
Smiles BrCCCCCCCCCCCCCCBr
InChI
InChI=1S/C14H28Br2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28Br2
Molecular Weight 354.06
AlogP 6.46
Number of Rotational Bond 13.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 37688-96-3
NORMAN SUSDAT
FDA SRS M7FH2T4N5G
PubChem 169955
ChemSpider 148624.0