Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 90T93TX09D
EPA CompTox DTXSID2044395

Structure

InChI Key PBLNBZIONSLZBU-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCBr
InChI
InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H25Br1
Molecular Weight 248.11
AlogP 5.3
Number of Rotational Bond 10.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 143-15-7
NORMAN SUSDAT
FDA SRS 90T93TX09D
PubChem 8919
ChemSpider 8579.0