phenylmercury;urea

C7H9HgN2O — CID 70460318

IUPACphenylmercury;urea
SMILESNC(N)=O.[Hg]c1ccccc1
InChIInChI=1S/C6H5.CH4N2O.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;(H4,2,3,4);
InChIKeyGCPVZKIUHLFLIP-UHFFFAOYSA-N
MW337.75 g/mol
LogP-0.12
Rot. Bonds

About phenylmercury;urea

phenylmercury;urea (PubChem CID 70460318) has the molecular formula C7H9HgN2O and a molecular weight of 337.75 g/mol. Its IUPAC name is phenylmercury;urea.

Molecular Properties

Compound Namephenylmercury;urea
PubChem CID70460318
Molecular FormulaC7H9HgN2O
Molecular Weight337.75 g/mol
Exact Mass339.04
IUPAC Namephenylmercury;urea
SMILESNC(N)=O.[Hg]c1ccccc1
InChIInChI=1S/C6H5.CH4N2O.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;(H4,2,3,4);
InChIKeyGCPVZKIUHLFLIP-UHFFFAOYSA-N
XLogP-0.12
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.75
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 66688538
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Frequently Asked Questions

What is the IUPAC name of phenylmercury;urea?
The IUPAC name of phenylmercury;urea (CID 70460318) is phenylmercury;urea.
What is the SMILES notation for phenylmercury;urea?
The canonical SMILES for phenylmercury;urea is NC(N)=O.[Hg]c1ccccc1.
What is the InChIKey of phenylmercury;urea?
The InChIKey is GCPVZKIUHLFLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.CH4N2O.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;(H4,2,3,4);.
What are the key properties of phenylmercury;urea?
phenylmercury;urea has a molecular weight of 337.75 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmercury;urea is sourced from PubChem (CID 70460318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).