Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID501005133

Structure

InChI Key QIEVNVIKXIIIQU-UHFFFAOYSA-N
Smiles N#CN(CC(Br)CBr)CC(Br)CBr
InChI
InChI=1/C7H10Br4N2/c8-1-6(10)3-13(5-12)4-7(11)2-9/h6-7H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10Br4N2
Molecular Weight 437.76
AlogP 3.09
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 27.03
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 84852-51-7
NORMAN SUSDAT
PubChem 3020176