Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30577179

Structure

InChI Key QESKOPIDDXNYFS-UHFFFAOYSA-N
Smiles OC(=O)c1cc(Br)c(Br)c(Br)c1C(O)=O
InChI
InChI=1S/C8H3Br3O4/c9-3-1-2(7(12)13)4(8(14)15)6(11)5(3)10/h1H,(H,12,13)(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H3Br3O4
Molecular Weight 399.76
AlogP 3.37
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 92766-08-0
NORMAN SUSDAT
PubChem 15709947