Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50871348

Structure

InChI Key GSYMWZIKZUHBKV-UHFFFAOYSA-N
Smiles BrCC(C)CCC
InChI
InChI=1/C6H13Br/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13Br
Molecular Weight 164.02
AlogP 2.82
Number of Rotational Bond 3.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 25346-33-2
NORMAN SUSDAT
PubChem 91416