Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G663XY9RD3
EPA CompTox DTXSID90239327

Structure

InChI Key LUTZQLLTXUSAOF-UHFFFAOYSA-N
Smiles BrCC=C1CCCCC1
InChI
InChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h6H,1-5,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13Br1
Molecular Weight 188.02
AlogP 3.27
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 932-86-5
NORMAN SUSDAT
FDA SRS G663XY9RD3
PubChem 70270
ChemSpider 63454.0