Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VOX04I4D2L
EPA CompTox DTXSID00187688

Structure

InChI Key SAJKBMWWUCUTBI-UHFFFAOYSA-N
Smiles BrCCCC1CCCCC1
InChI
InChI=1S/C9H17Br/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H17Br1
Molecular Weight 204.05
AlogP 3.74
Number of Rotational Bond 3.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 34094-21-8
NORMAN SUSDAT
FDA SRS VOX04I4D2L
PubChem 96426
ChemSpider 87047.0