Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40232707

Structure

InChI Key GFNXDNKBDGSFAV-UHFFFAOYSA-N
Smiles O(C1=CC=C(C=C1)COC(OC)(OCC2=CC=C(OC)C=C2)[SiH3])C
InChI
InChI=1/C18H24O5Si/c1-19-16-8-4-14(5-9-16)12-22-18(24,21-3)23-13-15-6-10-17(20-2)11-7-15/h4-11H,12-13H2,1-3,24H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24O5Si
Molecular Weight 348.14
AlogP 2.06
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 9.0
Polar Surface Area 46.15
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 83817-62-3
NORMAN SUSDAT