Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key NUUUANNAZVEWHM-UHFFFAOYSA-N
Smiles CCCCC(Br)CBr
InChI
InChI=1S/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12Br2
Molecular Weight 241.93
AlogP 3.34
Number of Rotational Bond 4.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 624-20-4
NORMAN SUSDAT