Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30973152

Structure

InChI Key LROSUTJPBMEPEY-UHFFFAOYSA-N
Smiles O=P(Cl)(OCC(Br)(Br)Br)N1CCOCC1
InChI
InChI=1/C6H10Br3ClNO3P/c7-6(8,9)5-14-15(10,12)11-1-3-13-4-2-11/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Br3ClNO3P
Molecular Weight 446.76
AlogP 3.52
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 38.77
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 57575-15-2
NORMAN SUSDAT
PubChem 3034447