Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4GWJ7W4JMB
EPA CompTox DTXSID20171180

Structure

InChI Key JTWDWVCNOLORBR-UHFFFAOYSA-N
Smiles ClCCC[Si](OC)(C)C
InChI
InChI=1/C6H15ClOSi/c1-8-9(2,3)6-4-5-7/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15ClOSi
Molecular Weight 166.06
AlogP 2.47
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 18171-14-7
NORMAN SUSDAT
FDA SRS 4GWJ7W4JMB
PubChem 87490