Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90871226

Structure

InChI Key CAKVGNXMAZLDPV-UHFFFAOYSA-N
Smiles BrC1CCCC(C)C1
InChI
InChI=1/C7H13Br/c1-6-3-2-4-7(8)5-6/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 13905-48-1
NORMAN SUSDAT
PubChem 95431