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

Structure

InChI Key VNHWPVLQRKKKRY-UHFFFAOYSA-N
Smiles FCCCBr
InChI
InChI=1S/C3H6BrF/c4-2-1-3-5/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Br1F1
Molecular Weight 139.96
AlogP 1.74
Number of Rotational Bond 2.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 352-91-0
NORMAN SUSDAT