About CID 135046502
CID 135046502 (PubChem CID 135046502) has the molecular formula C22H20Hf-2
and a molecular weight of 462.89 g/mol.
Molecular Properties
| Compound Name | CID 135046502 |
|---|
| PubChem CID | 135046502 |
|---|
| Molecular Formula | C22H20Hf-2 |
|---|
| Molecular Weight | 462.89 g/mol |
|---|
| Exact Mass | 464.10 |
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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.[Hf].[c-]1ccccc1.[c-]1ccccc1 |
|---|
| InChI | InChI=1S/2C6H5.2C5H5.Hf/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h2*1-5H;2*1-5H;/q2*-1;;; |
|---|
| InChIKey | WLAIAJZMKJCXJZ-UHFFFAOYSA-N |
|---|
| XLogP | 5.01 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
|---|
| 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 | 462.89 |
| 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 135046502?
The IUPAC name of CID 135046502 (CID 135046502) is not available.
What is the SMILES notation for CID 135046502?
The canonical SMILES for CID 135046502 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Hf].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of CID 135046502?
The InChIKey is WLAIAJZMKJCXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2C5H5.Hf/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h2*1-5H;2*1-5H;/q2*-1;;;.
What are the key properties of CID 135046502?
CID 135046502 has a molecular weight of 462.89 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 135046502 is sourced from PubChem (CID 135046502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).