Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GX615908HN
EPA CompTox DTXSID3038725

Structure

InChI Key KOFZTCSTGIWCQG-UHFFFAOYSA-N
Smiles BrCCCCCCCCCCCCCC
InChI
InChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H29Br1
Molecular Weight 276.15
AlogP 6.08
Number of Rotational Bond 12.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 112-71-0
NORMAN SUSDAT
FDA SRS GX615908HN
PubChem 8208
ChemSpider 7916.0