Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key GBZVTYBDFUNRDK-UHFFFAOYSA-N
Smiles COC(OC)[SiH2]CNC(=O)OC
InChI
InChI=1S/C6H15NO4Si/c1-9-5(8)7-4-12-6(10-2)11-3/h6H,4,12H2,1-3H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N1O4Si1
Molecular Weight 193.08
AlogP -0.75
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 60.28
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 111122-43-1
NORMAN SUSDAT