Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R64C88J7BU
EPA CompTox DTXSID0061452

Structure

InChI Key CVFGRDOVEFUBES-UHFFFAOYSA-N
Smiles N#CCCC[Si](Cl)(Cl)CCCC#N
InChI
InChI=1/C8H12Cl2N2Si/c9-13(10,7-3-1-5-11)8-4-2-6-12/h1-4,7-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12Cl2N2Si
Molecular Weight 234.01
AlogP 3.51
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 47.58
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 1071-17-6
NORMAN SUSDAT
FDA SRS R64C88J7BU
PubChem 101957