Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RU9D9G6PF6
EPA CompTox DTXSID60871016

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13Br
Molecular Weight 164.02
AlogP 2.96
Number of Rotational Bond 3.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3377-86-4
NORMAN SUSDAT
FDA SRS RU9D9G6PF6
PubChem 18805