Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20951520

Structure

InChI Key DVASKQOEUNSJHT-UHFFFAOYSA-N
Smiles O=P(Cl)(OCC(Br)CBr)OCC(Br)CBr
InChI
InChI=1/C6H10Br4ClO3P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Br4ClO3P
Molecular Weight 511.68
AlogP 4.68
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 35.53
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 28888-24-6
NORMAN SUSDAT
PubChem 120080