acetyloxy(phenyl)mercury;azane

C8H11HgNO2 — CID 16683079

IUPACacetyloxy(phenyl)mercury;azane
SMILESCC(=O)O[Hg]c1ccccc1.N
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
LogP1.03
Rot. Bonds2

About acetyloxy(phenyl)mercury;azane

acetyloxy(phenyl)mercury;azane (PubChem CID 16683079) has the molecular formula C8H11HgNO2 and a molecular weight of 353.77 g/mol. Its IUPAC name is acetyloxy(phenyl)mercury;azane.

Molecular Properties

Compound Nameacetyloxy(phenyl)mercury;azane
PubChem CID16683079
Molecular FormulaC8H11HgNO2
Molecular Weight353.77 g/mol
Exact Mass355.05
IUPAC Nameacetyloxy(phenyl)mercury;azane
SMILESCC(=O)O[Hg]c1ccccc1.N
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
XLogP1.03
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyloxy(phenyl)mercury;azane?
The IUPAC name of acetyloxy(phenyl)mercury;azane (CID 16683079) is acetyloxy(phenyl)mercury;azane.
What is the SMILES notation for acetyloxy(phenyl)mercury;azane?
The canonical SMILES for acetyloxy(phenyl)mercury;azane is CC(=O)O[Hg]c1ccccc1.N.
What is the InChIKey of acetyloxy(phenyl)mercury;azane?
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 acetyloxy(phenyl)mercury;azane?
acetyloxy(phenyl)mercury;azane has a molecular weight of 353.77 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(phenyl)mercury;azane is sourced from PubChem (CID 16683079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).