Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DU3676J8VF
EPA CompTox DTXSID1066318

Structure

InChI Key JNMHGVGUMWBNFX-UHFFFAOYSA-N
Smiles ClCCO[Si](OCCCl)(C)C
InChI
InChI=1/C6H14Cl2O2Si/c1-11(2,9-5-3-7)10-6-4-8/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14Cl2O2Si
Molecular Weight 216.01
AlogP 2.2
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 18.46
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 18141-42-9
NORMAN SUSDAT
FDA SRS DU3676J8VF
PubChem 87468