Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FJ47VAQ8KW
EPA CompTox DTXSID9075111

Structure

InChI Key JRQAAYVLPPGEHT-UHFFFAOYSA-N
Smiles BrCCC1CCCCC1
InChI
InChI=1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15Br1
Molecular Weight 190.04
AlogP 3.35
Number of Rotational Bond 2.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1647-26-3
NORMAN SUSDAT
FDA SRS FJ47VAQ8KW
PubChem 15440
ChemSpider 14693.0