Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 47R7ND8EC7
EPA CompTox DTXSID5027647

Structure

InChI Key DOGMJCPBZJUYGB-UHFFFAOYSA-N
Smiles O=C(OCCC[Si](Cl)(Cl)Cl)C(=C)C
InChI
InChI=1/C7H11Cl3O2Si/c1-6(2)7(11)12-4-3-5-13(8,9)10/h1,3-5H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11Cl3O2Si
Molecular Weight 259.96
AlogP 3.15
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 7351-61-3
NORMAN SUSDAT
FDA SRS 47R7ND8EC7
PubChem 81811