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

Structure

InChI Key PFVPRSFKPPWGTQ-UHFFFAOYSA-N
Smiles BrC1CCC(Br)C(Br)CC=CC=CCC1Br
InChI
InChI=1S/C12H16Br4/c13-9-5-3-1-2-4-6-10(14)12(16)8-7-11(9)15/h1-4,9-12H,5-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16Br4
Molecular Weight 475.8
AlogP 5.73
Heavy Atoms 16.0

Cross References

Resources Reference
NORMAN SUSDAT