mercury(2+) dibenzoate

C14H10HgO4 — CID 11407

IUPACmercury(2+) dibenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Hg+2]
InChIInChI=1S/2C7H6O2.Hg/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
InChIKeyFJKFBLLIOVQLFS-UHFFFAOYSA-L
MW442.82 g/mol
LogP0.10
Rot. Bonds2

About mercury(2+) dibenzoate

mercury(2+) dibenzoate (PubChem CID 11407) has the molecular formula C14H10HgO4 and a molecular weight of 442.82 g/mol. Its IUPAC name is mercury(2+) dibenzoate.

Molecular Properties

Compound Namemercury(2+) dibenzoate
PubChem CID11407
Molecular FormulaC14H10HgO4
Molecular Weight442.82 g/mol
Exact Mass444.03
IUPAC Namemercury(2+) dibenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Hg+2]
InChIInChI=1S/2C7H6O2.Hg/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
InChIKeyFJKFBLLIOVQLFS-UHFFFAOYSA-L
XLogP0.10
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.82
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze mercury(2+) dibenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzoic Acid
CID 243
Benzyl Benzoate
CID 2345
Benzoyl Peroxide
CID 7187
Sodium Benzoate
CID 517055
Methyl Benzoate
CID 7150
Terephthalic Acid
CID 7489
Thimerosal
CID 16684434
Dimethyl terephthalate
CID 8441
Butyl Benzoate
CID 8698
P-Toluic Acid
CID 7470
Potassium Benzoate
CID 23661960
Hexyl benzoate
CID 23235

Frequently Asked Questions

What is the IUPAC name of mercury(2+) dibenzoate?
The IUPAC name of mercury(2+) dibenzoate (CID 11407) is mercury(2+) dibenzoate.
What is the SMILES notation for mercury(2+) dibenzoate?
The canonical SMILES for mercury(2+) dibenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Hg+2].
What is the InChIKey of mercury(2+) dibenzoate?
The InChIKey is FJKFBLLIOVQLFS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.Hg/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2.
What are the key properties of mercury(2+) dibenzoate?
mercury(2+) dibenzoate has a molecular weight of 442.82 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(2+) dibenzoate is sourced from PubChem (CID 11407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).