Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N280JW4C4W
EPA CompTox DTXSID80885074

Structure

InChI Key NZWIYPLSXWYKLH-UHFFFAOYSA-N
Smiles BrCC(CC)CCCC
InChI
InChI=1/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17Br
Molecular Weight 192.05
AlogP 3.6
Number of Rotational Bond 5.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 18908-66-2
NORMAN SUSDAT
FDA SRS N280JW4C4W
PubChem 86804