Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0066371

Structure

InChI Key ZDAMOIHILBVHMU-UHFFFAOYSA-N
Smiles O(CC)[Si](OCC)(OCC)C1=CC=C(C=C1)N(C)C
InChI
InChI=1/C14H25NO3Si/c1-6-16-19(17-7-2,18-8-3)14-11-9-13(10-12-14)15(4)5/h9-12H,6-8H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H25NO3Si
Molecular Weight 283.16
AlogP 2.01
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 30.93
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 18418-79-6
NORMAN SUSDAT
PubChem 87633