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

Structure

InChI Key VIJONEIFBHPTPR-UHFFFAOYSA-N
Smiles COCC[Hg]O[Si](=O)O[Hg]CCOC
InChI
InChI=1S/2C3H7O.2Hg.O3Si/c2*1-3-4-2;;;1-4(2)3/h2*1,3H2,2H3;;;/q;;2*+1;-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14Hg2O5Si1
Molecular Weight 598.0
AlogP -1.95
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 81.65
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 19367-79-4
NORMAN SUSDAT