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

Structure

InChI Key IOQKJDCMPKUNQN-UHFFFAOYSA-L
Smiles O=C1O[Hg]Oc2ccccc12
InChI
InChI=1S/C7H6O3.Hg/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Hg1O3
Molecular Weight 337.99
AlogP -0.88
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 63.19
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 5970-32-1
NORMAN SUSDAT