azane;phenylmercury(1+);acetate

C8H11HgNO2 — CID 90478884

IUPACazane;phenylmercury(1+);acetate
SMILESCC(=O)[O-].N.[Hg+]c1ccccc1
InChIInChI=1S/C6H5.C2H4O2.Hg.H3N/c1-2-4-6-5-3-1;1-2(3)4;;/h1-5H;1H3,(H,3,4);;1H3/q;;+1;/p-1
InChIKeyLPDJEBDOSVRHKE-UHFFFAOYSA-M
MW353.77 g/mol
LogP-0.22
Rot. Bonds

About azane;phenylmercury(1+);acetate

azane;phenylmercury(1+);acetate (PubChem CID 90478884) has the molecular formula C8H11HgNO2 and a molecular weight of 353.77 g/mol. Its IUPAC name is azane;phenylmercury(1+);acetate.

Molecular Properties

Compound Nameazane;phenylmercury(1+);acetate
PubChem CID90478884
Molecular FormulaC8H11HgNO2
Molecular Weight353.77 g/mol
Exact Mass355.05
IUPAC Nameazane;phenylmercury(1+);acetate
SMILESCC(=O)[O-].N.[Hg+]c1ccccc1
InChIInChI=1S/C6H5.C2H4O2.Hg.H3N/c1-2-4-6-5-3-1;1-2(3)4;;/h1-5H;1H3,(H,3,4);;1H3/q;;+1;/p-1
InChIKeyLPDJEBDOSVRHKE-UHFFFAOYSA-M
XLogP-0.22
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylmercury(1+);phenylmercury(1+);acetate;chloride
CID 67854613
2-hydroxypropanoate;phenylmercury(1+)
CID 67544272
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
decanoate;phenylmercury(1+)
CID 70457724
silver;benzene;acetate
CID 174986985
palladium(2+);triphenylphosphane;diacetate
CID 11554889
copper(1+);tris(triphenylphosphane);acetate
CID 56954258
gold(3+);triphenylphosphane;triacetate
CID 160881940
copper(1+);bis(triphenylphosphane);acetate
CID 175797724
sodium;2-hydroxybenzoic acid;acetate
CID 174935764
benzyltin(3+) triacetate
CID 161126164
nitric acid;bis(phenylmercury(1+));hydrate
CID 170920407

Frequently Asked Questions

What is the IUPAC name of azane;phenylmercury(1+);acetate?
The IUPAC name of azane;phenylmercury(1+);acetate (CID 90478884) is azane;phenylmercury(1+);acetate.
What is the SMILES notation for azane;phenylmercury(1+);acetate?
The canonical SMILES for azane;phenylmercury(1+);acetate is CC(=O)[O-].N.[Hg+]c1ccccc1.
What is the InChIKey of azane;phenylmercury(1+);acetate?
The InChIKey is LPDJEBDOSVRHKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.C2H4O2.Hg.H3N/c1-2-4-6-5-3-1;1-2(3)4;;/h1-5H;1H3,(H,3,4);;1H3/q;;+1;/p-1.
What are the key properties of azane;phenylmercury(1+);acetate?
azane;phenylmercury(1+);acetate has a molecular weight of 353.77 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phenylmercury(1+);acetate is sourced from PubChem (CID 90478884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).