nitrooxy(phenyl)mercury

C6H5HgNO3 — CID 16682924

💊View drug profile → phenylmercuric nitrate
IUPACnitrooxy(phenyl)mercury
SMILESO=[N+]([O-])O[Hg]c1ccccc1
InChIInChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1
InChIKeyPDTFCHSETJBPTR-UHFFFAOYSA-N
MW339.70 g/mol
LogP0.52
Rot. Bonds3

About nitrooxy(phenyl)mercury

nitrooxy(phenyl)mercury (PubChem CID 16682924) has the molecular formula C6H5HgNO3 and a molecular weight of 339.70 g/mol. Its IUPAC name is nitrooxy(phenyl)mercury.

Molecular Properties

Compound Namenitrooxy(phenyl)mercury
PubChem CID16682924
Molecular FormulaC6H5HgNO3
Molecular Weight339.70 g/mol
Exact Mass341.00
IUPAC Namenitrooxy(phenyl)mercury
SMILESO=[N+]([O-])O[Hg]c1ccccc1
InChIInChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1
InChIKeyPDTFCHSETJBPTR-UHFFFAOYSA-N
XLogP0.52
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitrooxy(phenyl)mercury?
The IUPAC name of nitrooxy(phenyl)mercury (CID 16682924) is nitrooxy(phenyl)mercury.
What is the SMILES notation for nitrooxy(phenyl)mercury?
The canonical SMILES for nitrooxy(phenyl)mercury is O=[N+]([O-])O[Hg]c1ccccc1.
What is the InChIKey of nitrooxy(phenyl)mercury?
The InChIKey is PDTFCHSETJBPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1.
What are the key properties of nitrooxy(phenyl)mercury?
nitrooxy(phenyl)mercury has a molecular weight of 339.70 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitrooxy(phenyl)mercury is sourced from PubChem (CID 16682924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).