Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z28AT4BT8S
EPA CompTox DTXSID6062595

Structure

InChI Key RIMXEJYJXDBLIE-UHFFFAOYSA-N
Smiles BrCCCCC=C
InChI
InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11Br1
Molecular Weight 162.0
AlogP 2.74
Number of Rotational Bond 4.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2695-47-8
NORMAN SUSDAT
FDA SRS Z28AT4BT8S
PubChem 75906
ChemSpider 11812.0