Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9DZ4XF983L
EPA CompTox DTXSID40159243

Structure

InChI Key IIFBEYQLKOBDQH-UHFFFAOYSA-N
Smiles ClCCC[Si](OCC)(C)C
InChI
InChI=1/C7H17ClOSi/c1-4-9-10(2,3)7-5-6-8/h4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17ClOSi
Molecular Weight 180.07
AlogP 2.86
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 9.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 13508-63-9
NORMAN SUSDAT
FDA SRS 9DZ4XF983L
PubChem 83538