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

Structure

InChI Key LWBRXRHBXMVUEX-UHFFFAOYSA-N
Smiles BrC(C)C(Br)CC
InChI
InChI=1/C5H10Br2/c1-3-5(7)4(2)6/h4-5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10Br2
Molecular Weight 227.91
AlogP 2.94
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 5398-25-4
NORMAN SUSDAT
PubChem 95366