About CID 173223451
CID 173223451 (PubChem CID 173223451) has the molecular formula C22H22Cl2HfSi
and a molecular weight of 563.90 g/mol.
Molecular Properties
| Compound Name | CID 173223451 |
|---|
| PubChem CID | 173223451 |
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| Molecular Formula | C22H22Cl2HfSi |
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| Molecular Weight | 563.90 g/mol |
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| Exact Mass | 564.03 |
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| IUPAC Name | — |
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| SMILES | C=CC[Si]C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1 |
|---|
| InChI | InChI=1S/2C9H7.C4H8Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-4-5-2;;;/h2*1-7H;3H,1,4H2,2H3;2*1H;/q2*-1;;;;+4/p-2 |
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| InChIKey | LFSONBVTKUVJIS-UHFFFAOYSA-L |
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| XLogP | 0.47 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 26 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 563.90 |
| LogP ≤ 5 | 0.47 |
| 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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 173223451?
The IUPAC name of CID 173223451 (CID 173223451) is not available.
What is the SMILES notation for CID 173223451?
The canonical SMILES for CID 173223451 is C=CC[Si]C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173223451?
The InChIKey is LFSONBVTKUVJIS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C4H8Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-4-5-2;;;/h2*1-7H;3H,1,4H2,2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173223451?
CID 173223451 has a molecular weight of 563.90 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173223451 is sourced from PubChem (CID 173223451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).