About CID 135046350
CID 135046350 (PubChem CID 135046350) has the molecular formula C22H20Ti
and a molecular weight of 332.27 g/mol.
Molecular Properties
| Compound Name | CID 135046350 |
|---|
| PubChem CID | 135046350 |
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| Molecular Formula | C22H20Ti |
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| Molecular Weight | 332.27 g/mol |
|---|
| Exact Mass | 332.10 |
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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.[Ti+2].[c-]1ccccc1.[c-]1ccccc1 |
|---|
| InChI | InChI=1S/2C6H5.2C5H5.Ti/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 | YEXVHONIDFPXRU-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 | 332.27 |
| 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 135046350?
The IUPAC name of CID 135046350 (CID 135046350) is not available.
What is the SMILES notation for CID 135046350?
The canonical SMILES for CID 135046350 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of CID 135046350?
The InChIKey is YEXVHONIDFPXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2C5H5.Ti/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 135046350?
CID 135046350 has a molecular weight of 332.27 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 135046350 is sourced from PubChem (CID 135046350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).