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

Structure

InChI Key FJKFBLLIOVQLFS-UHFFFAOYSA-L
Smiles [Hg+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2
InChI
InChI=1/2C7H6O2.Hg/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10HgO4
Molecular Weight 444.03
AlogP 0.1
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 80.26
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 583-15-3
NORMAN SUSDAT