Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40880222

Structure

InChI Key GATGUNJRFUIHOM-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(OCCC[Si](Cl)(Cl)Cl)C(F)(F)F
InChI
InChI=1/C6H6Cl3F7OSi/c7-18(8,9)3-1-2-17-4(10,5(11,12)13)6(14,15)16/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6Cl3F7OSi
Molecular Weight 359.91
AlogP 4.84
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 9.23
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 15538-93-9
NORMAN SUSDAT
PubChem 284131