About CID 139264256
CID 139264256 (PubChem CID 139264256) has the molecular formula C14H10Mn2O4Se2-2
and a molecular weight of 510.03 g/mol.
Molecular Properties
| Compound Name | CID 139264256 |
|---|
| PubChem CID | 139264256 |
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| Molecular Formula | C14H10Mn2O4Se2-2 |
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| Molecular Weight | 510.03 g/mol |
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| Exact Mass | 511.77 |
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| IUPAC Name | — |
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| SMILES | [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn].[Se][Se].c1cc[cH-]c1.c1cc[cH-]c1 |
|---|
| InChI | InChI=1S/2C5H5.4CO.2Mn.Se2/c2*1-2-4-5-3-1;4*1-2;;;1-2/h2*1-5H;;;;;;;/q2*-1;;;;;;; |
|---|
| InChIKey | FEGWLVYJJSTHLK-UHFFFAOYSA-N |
|---|
| XLogP | 1.89 |
|---|
| TPSA | 79.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 22 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 510.03 |
| LogP ≤ 5 | 1.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 139264256?
The IUPAC name of CID 139264256 (CID 139264256) is not available.
What is the SMILES notation for CID 139264256?
The canonical SMILES for CID 139264256 is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn].[Se][Se].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of CID 139264256?
The InChIKey is FEGWLVYJJSTHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.4CO.2Mn.Se2/c2*1-2-4-5-3-1;4*1-2;;;1-2/h2*1-5H;;;;;;;/q2*-1;;;;;;;.
What are the key properties of CID 139264256?
CID 139264256 has a molecular weight of 510.03 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139264256 is sourced from PubChem (CID 139264256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).