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

Structure

InChI Key RXSUFCOOZSGWSW-UHFFFAOYSA-M
Smiles CC(=O)[O-].Nc1ccc([Hg+])cc1
InChI
InChI=1/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h2-5H,7H2;1H3,(H,3,4);/q;;+1/p-1/rC6H6HgN.C2H4O2/c7-5-1-3-6(8)4-2-5;1-2(3)4/h1-4H,8H2;1H3,(H,3,4)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9HgNO2
Molecular Weight 353.03
AlogP -0.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 66.15
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 6283-24-5
NORMAN SUSDAT