About CID 11047867
CID 11047867 (PubChem CID 11047867) has the molecular formula C14H10O3W+
and a molecular weight of 410.07 g/mol.
Molecular Properties
| Compound Name | CID 11047867 |
|---|
| PubChem CID | 11047867 |
|---|
| Molecular Formula | C14H10O3W+ |
|---|
| Molecular Weight | 410.07 g/mol |
|---|
| Exact Mass | 410.01 |
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| IUPAC Name | — |
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| SMILES | [C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2].[c-]1ccccc1 |
|---|
| InChI | InChI=1S/C6H5.C5H5.3CO.W/c1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-2;/h1-5H;1-5H;;;;/q-1;;;;;+2 |
|---|
| InChIKey | DIJAUNZUJAVKTD-UHFFFAOYSA-N |
|---|
| XLogP | 2.39 |
|---|
| TPSA | 59.70 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 18 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 410.07 |
| LogP ≤ 5 | 2.39 |
| 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': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 11047867?
The IUPAC name of CID 11047867 (CID 11047867) is not available.
What is the SMILES notation for CID 11047867?
The canonical SMILES for CID 11047867 is [C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2].[c-]1ccccc1.
What is the InChIKey of CID 11047867?
The InChIKey is DIJAUNZUJAVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H5.3CO.W/c1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-2;/h1-5H;1-5H;;;;/q-1;;;;;+2.
What are the key properties of CID 11047867?
CID 11047867 has a molecular weight of 410.07 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11047867 is sourced from PubChem (CID 11047867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).