Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1066156

Structure

InChI Key LQJWIXKJNVDYHH-UHFFFAOYSA-N
Smiles O=C=NCCC[Si](Cl)(C)C
InChI
InChI=1/C6H12ClNOSi/c1-10(2,7)5-3-4-8-6-9/h3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12ClNOSi
Molecular Weight 177.04
AlogP 2.16
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 29.43
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 17070-70-1
NORMAN SUSDAT
PubChem 86931