Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60162597

Structure

InChI Key CXPJZISGVIVNEL-UHFFFAOYSA-N
Smiles Oc1c(Br)cc(Br)c(Br)c1Br
InChI
InChI=1S/C6H2Br4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Br4O1
Molecular Weight 405.68
AlogP 4.44
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 14400-94-3
NORMAN SUSDAT
PubChem 26665
ChemSpider 24841.0