About CID 10948797
CID 10948797 (PubChem CID 10948797) has the molecular formula C22H20Zr
and a molecular weight of 375.63 g/mol.
Molecular Properties
| Compound Name | CID 10948797 |
|---|
| PubChem CID | 10948797 |
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| Molecular Formula | C22H20Zr |
|---|
| Molecular Weight | 375.63 g/mol |
|---|
| Exact Mass | 374.06 |
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| IUPAC Name | — |
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| SMILES | [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2].[c-]1ccccc1.[c-]1ccccc1 |
|---|
| InChI | InChI=1S/2C6H5.2C5H5.Zr/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h2*1-5H;2*1-5H;/q2*-1;;;+2 |
|---|
| InChIKey | PXWDENRJBWHGPG-UHFFFAOYSA-N |
|---|
| XLogP | 5.01 |
|---|
| TPSA | 0.00 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 | 23 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 375.63 |
| LogP ≤ 5 | 5.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 10948797?
The IUPAC name of CID 10948797 (CID 10948797) is not available.
What is the SMILES notation for CID 10948797?
The canonical SMILES for CID 10948797 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of CID 10948797?
The InChIKey is PXWDENRJBWHGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2C5H5.Zr/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h2*1-5H;2*1-5H;/q2*-1;;;+2.
What are the key properties of CID 10948797?
CID 10948797 has a molecular weight of 375.63 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10948797 is sourced from PubChem (CID 10948797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).