About magnesium benzeneselenolate
magnesium benzeneselenolate (PubChem CID 100968481) has the molecular formula C12H10MgSe2
and a molecular weight of 336.44 g/mol. Its IUPAC name is magnesium benzeneselenolate.
Molecular Properties
| Compound Name | magnesium benzeneselenolate |
|---|
| PubChem CID | 100968481 |
|---|
| Molecular Formula | C12H10MgSe2 |
|---|
| Molecular Weight | 336.44 g/mol |
|---|
| Exact Mass | 337.90 |
|---|
| IUPAC Name | magnesium benzeneselenolate |
|---|
| SMILES | [Mg+2].[Se-]c1ccccc1.[Se-]c1ccccc1 |
|---|
| InChI | InChI=1S/2C6H6Se.Mg/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2 |
|---|
| InChIKey | XWZGBVWFKCIJSD-UHFFFAOYSA-L |
|---|
| XLogP | 0.58 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 15 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 336.44 |
| LogP ≤ 5 | 0.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze magnesium benzeneselenolate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of magnesium benzeneselenolate?
The IUPAC name of magnesium benzeneselenolate (CID 100968481) is magnesium benzeneselenolate.
What is the SMILES notation for magnesium benzeneselenolate?
The canonical SMILES for magnesium benzeneselenolate is [Mg+2].[Se-]c1ccccc1.[Se-]c1ccccc1.
What is the InChIKey of magnesium benzeneselenolate?
The InChIKey is XWZGBVWFKCIJSD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6Se.Mg/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2.
What are the key properties of magnesium benzeneselenolate?
magnesium benzeneselenolate has a molecular weight of 336.44 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium benzeneselenolate is sourced from PubChem (CID 100968481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).