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

Structure

InChI Key GEWJRGLOPIHKRF-UHFFFAOYSA-N
Smiles CCc1c(Br)cc(Br)c(Br)c1Br
InChI
InChI=1S/C8H6Br4/c1-2-4-5(9)3-6(10)8(12)7(4)11/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Br4
Molecular Weight 417.72
AlogP 5.3
Number of Rotational Bond 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 53834712