Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID201006318

Structure

InChI Key MAWWERMLNIJXTR-UHFFFAOYSA-N
Smiles FC(F)(Cl)C(F)(Cl)OC(F)(F)C(F)(F)I
InChI
InChI=1/C4Cl2F7IO/c5-1(7,8)2(6,9)15-4(12,13)3(10,11)14

Physicochemical Descriptors

Property Name Value
Molecular Formula C4Cl2F7IO
Molecular Weight 393.83
AlogP 4.32
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 9.23
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 85720-83-8
NORMAN SUSDAT
PubChem 3020930