About CID 139212009
CID 139212009 (PubChem CID 139212009) has the molecular formula C10H8FeSe2
and a molecular weight of 341.94 g/mol.
Molecular Properties
| Compound Name | CID 139212009 |
|---|
| PubChem CID | 139212009 |
|---|
| Molecular Formula | C10H8FeSe2 |
|---|
| Molecular Weight | 341.94 g/mol |
|---|
| Exact Mass | 343.83 |
|---|
| IUPAC Name | — |
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| SMILES | [Fe+2].[Se]C1=C[CH][CH][CH-]1.[Se]c1ccc[cH-]1 |
|---|
| InChI | InChI=1S/2C5H4Se.Fe/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2 |
|---|
| InChIKey | IACWUGQKGJWFOU-UHFFFAOYSA-N |
|---|
| XLogP | 0.86 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 341.94 |
| LogP ≤ 5 | 0.86 |
| 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': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 139212009?
The IUPAC name of CID 139212009 (CID 139212009) is not available.
What is the SMILES notation for CID 139212009?
The canonical SMILES for CID 139212009 is [Fe+2].[Se]C1=C[CH][CH][CH-]1.[Se]c1ccc[cH-]1.
What is the InChIKey of CID 139212009?
The InChIKey is IACWUGQKGJWFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4Se.Fe/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2.
What are the key properties of CID 139212009?
CID 139212009 has a molecular weight of 341.94 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139212009 is sourced from PubChem (CID 139212009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).