Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30858238

Structure

InChI Key MVUXOUVWNWWKOU-UHFFFAOYSA-N
Smiles CC1(C)CC(C)(c2c1c(Br)c(Br)c(Br)c2Br)c1cc(Br)c(Br)c(Br)c1Br
InChI
InChI=1S/C18H12Br8/c1-17(2)5-18(3,6-4-7(19)11(21)14(24)10(6)20)9-8(17)12(22)15(25)16(26)13(9)23/h4H,5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H12Br8
Molecular Weight 859.44
AlogP 10.77
Number of Rotational Bond 1.0
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 1084889-51-9
NORMAN SUSDAT
PubChem 71751282
ChemSpider 21119315.0