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

Structure

InChI Key WKDZZKIPDBZSRW-UHFFFAOYSA-M
Smiles C[Hg+].[O-]C(=O)c1ccccc1
InChI
InChI=1/C7H6O2.CH3.Hg/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;;+1/p-1/rC7H6O2.CH3Hg/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H,8,9);1H3/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8HgO2
Molecular Weight 338.02
AlogP 0.63
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.13
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3626-13-9
NORMAN SUSDAT