CID 102167267

C6H5HgNO4 — CID 102167267

IUPAC—
SMILESO.O=[N+]([O-])C1=C=CC=C([O-])[CH]1.[Hg+]
InChIInChI=1S/C6H4NO3.Hg.H2O/c8-6-3-1-2-5(4-6)7(9)10;;/h1,3-4,8H;;1H2/q;+1;/p-1
InChIKeyPFEAEFFEXOUAAA-UHFFFAOYSA-M
MW355.70 g/mol
LogP-1.06
Rot. Bonds1

About CID 102167267

CID 102167267 (PubChem CID 102167267) has the molecular formula C6H5HgNO4 and a molecular weight of 355.70 g/mol.

Molecular Properties

Compound NameCID 102167267
PubChem CID102167267
Molecular FormulaC6H5HgNO4
Molecular Weight355.70 g/mol
Exact Mass356.99
IUPAC Name—
SMILESO.O=[N+]([O-])C1=C=CC=C([O-])[CH]1.[Hg+]
InChIInChI=1S/C6H4NO3.Hg.H2O/c8-6-3-1-2-5(4-6)7(9)10;;/h1,3-4,8H;;1H2/q;+1;/p-1
InChIKeyPFEAEFFEXOUAAA-UHFFFAOYSA-M
XLogP-1.06
TPSA97.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 5-1.06
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 CID 102167267?
The IUPAC name of CID 102167267 (CID 102167267) is not available.
What is the SMILES notation for CID 102167267?
The canonical SMILES for CID 102167267 is O.O=[N+]([O-])C1=C=CC=C([O-])[CH]1.[Hg+].
What is the InChIKey of CID 102167267?
The InChIKey is PFEAEFFEXOUAAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4NO3.Hg.H2O/c8-6-3-1-2-5(4-6)7(9)10;;/h1,3-4,8H;;1H2/q;+1;/p-1.
What are the key properties of CID 102167267?
CID 102167267 has a molecular weight of 355.70 g/mol, XLogP of -1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102167267 is sourced from PubChem (CID 102167267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).