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

Structure

InChI Key RDHPKYGYEGBMSE-ZBJDZAJPSA-N
Smiles [2H]C([2H])([2H])C([2H])([2H])Br
InChI
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3/i1D3,2D2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5Br1
Molecular Weight 112.99
AlogP 1.4
Number of Rotational Bond 1.0
Heavy Atoms 3.0

Cross References

Resources Reference
CAS NUMBER 3675-63-6
NORMAN SUSDAT