Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60884247

Structure

InChI Key KWQRRNDZNAXRGO-UHFFFAOYSA-N
Smiles BrC1CCCCC1C
InChI
InChI=1/C7H13Br/c1-6-4-2-3-5-7(6)8/h6-7H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13Br
Molecular Weight 176.02
AlogP 2.96
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 6294-39-9
NORMAN SUSDAT
PubChem 95430