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

Structure

InChI Key OBOWFNLWGVYPDT-UHFFFAOYSA-N
Smiles O=P(OC=C(Cl)C=C(Cl)Cl)(OCC)OCC
InChI
InChI=1/C8H12Cl3O4P/c1-3-13-16(12,14-4-2)15-6-7(9)5-8(10)11/h5-6H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12Cl3O4P
Molecular Weight 307.95
AlogP 4.58
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 44.76
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 67910-49-0
NORMAN SUSDAT
PubChem 3017809