About CID 21261379
CID 21261379 (PubChem CID 21261379) has the molecular formula C26H24Cl2F2SiZr
and a molecular weight of 564.69 g/mol.
Molecular Properties
| Compound Name | CID 21261379 |
|---|
| PubChem CID | 21261379 |
|---|
| Molecular Formula | C26H24Cl2F2SiZr |
|---|
| Molecular Weight | 564.69 g/mol |
|---|
| Exact Mass | 562.00 |
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| IUPAC Name | — |
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| SMILES | C1CC[Si]C1.Fc1cccc(C2=[C-]CC=C2)c1.Fc1cccc(C2=[C-]CC=C2)c1.[Cl-].[Cl-].[Zr+4] |
|---|
| InChI | InChI=1S/2C11H8F.C4H8Si.2ClH.Zr/c2*12-11-7-3-6-10(8-11)9-4-1-2-5-9;1-2-4-5-3-1;;;/h2*1,3-4,6-8H,2H2;1-4H2;2*1H;/q2*-1;;;;+4/p-2 |
|---|
| InChIKey | BNAFHGKALALQGG-UHFFFAOYSA-L |
|---|
| XLogP | 1.27 |
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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 | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 564.69 |
| LogP ≤ 5 | 1.27 |
| 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 21261379?
The IUPAC name of CID 21261379 (CID 21261379) is not available.
What is the SMILES notation for CID 21261379?
The canonical SMILES for CID 21261379 is C1CC[Si]C1.Fc1cccc(C2=[C-]CC=C2)c1.Fc1cccc(C2=[C-]CC=C2)c1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 21261379?
The InChIKey is BNAFHGKALALQGG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8F.C4H8Si.2ClH.Zr/c2*12-11-7-3-6-10(8-11)9-4-1-2-5-9;1-2-4-5-3-1;;;/h2*1,3-4,6-8H,2H2;1-4H2;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 21261379?
CID 21261379 has a molecular weight of 564.69 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21261379 is sourced from PubChem (CID 21261379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).