About CID 172721451
CID 172721451 (PubChem CID 172721451) has the molecular formula C24H29F2SiZr
and a molecular weight of 474.80 g/mol.
Molecular Properties
| Compound Name | CID 172721451 |
|---|
| PubChem CID | 172721451 |
|---|
| Molecular Formula | C24H29F2SiZr |
|---|
| Molecular Weight | 474.80 g/mol |
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| Exact Mass | 473.11 |
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| IUPAC Name | — |
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| SMILES | CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[SiH]C.[F-].[F-].[Zr+4] |
|---|
| InChI | InChI=1S/2C11H11.C2H7Si.2FH.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;;/h2*3-8H,2H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2 |
|---|
| InChIKey | CHOSHRAQMSXXOK-UHFFFAOYSA-L |
|---|
| XLogP | 0.77 |
|---|
| 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 | 28 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 474.80 |
| LogP ≤ 5 | 0.77 |
| 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 172721451?
The IUPAC name of CID 172721451 (CID 172721451) is not available.
What is the SMILES notation for CID 172721451?
The canonical SMILES for CID 172721451 is CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.C[SiH]C.[F-].[F-].[Zr+4].
What is the InChIKey of CID 172721451?
The InChIKey is CHOSHRAQMSXXOK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11.C2H7Si.2FH.Zr/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-2;;;/h2*3-8H,2H2,1H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 172721451?
CID 172721451 has a molecular weight of 474.80 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172721451 is sourced from PubChem (CID 172721451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).