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

Structure

InChI Key JQEFZTLHNWFZDD-UHFFFAOYSA-N
Smiles BrC(C)CCCCCCC
InChI
InChI=1/C9H19Br/c1-3-4-5-6-7-8-9(2)10/h9H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19Br
Molecular Weight 206.07
AlogP 4.13
Number of Rotational Bond 6.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2216-35-5
NORMAN SUSDAT
PubChem 98219