Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SZ575986VQ
EPA CompTox DTXSID60168211

Structure

InChI Key SIBVHGAPHVRHMJ-UHFFFAOYSA-N
Smiles BrCCCCCCCCCCCBr
InChI
InChI=1S/C11H22Br2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22Br2
Molecular Weight 312.01
AlogP 5.29
Number of Rotational Bond 10.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 16696-65-4
NORMAN SUSDAT
FDA SRS SZ575986VQ
PubChem 85551
ChemSpider 77156.0