About CID 11783873
CID 11783873 (PubChem CID 11783873) has the molecular formula C20H14MoO2+2
and a molecular weight of 382.27 g/mol.
Molecular Properties
| Compound Name | CID 11783873 |
|---|
| PubChem CID | 11783873 |
|---|
| Molecular Formula | C20H14MoO2+2 |
|---|
| Molecular Weight | 382.27 g/mol |
|---|
| Exact Mass | 384.00 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [C-]#[O+].[C-]#[O+].[CH]1[CH][C]2C=CC=C[C]2[CH]1.[CH]1[CH][C]2C=CC=C[C]2[CH]1.[Mo+2] |
|---|
| InChI | InChI=1S/2C9H7.2CO.Mo/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2;/h2*1-7H;;;/q;;;;+2 |
|---|
| InChIKey | CRZIRHJTHHMBTI-UHFFFAOYSA-N |
|---|
| XLogP | 3.70 |
|---|
| TPSA | 39.80 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 | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 382.27 |
| LogP ≤ 5 | 3.70 |
| 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 11783873?
The IUPAC name of CID 11783873 (CID 11783873) is not available.
What is the SMILES notation for CID 11783873?
The canonical SMILES for CID 11783873 is [C-]#[O+].[C-]#[O+].[CH]1[CH][C]2C=CC=C[C]2[CH]1.[CH]1[CH][C]2C=CC=C[C]2[CH]1.[Mo+2].
What is the InChIKey of CID 11783873?
The InChIKey is CRZIRHJTHHMBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2CO.Mo/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2;/h2*1-7H;;;/q;;;;+2.
What are the key properties of CID 11783873?
CID 11783873 has a molecular weight of 382.27 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11783873 is sourced from PubChem (CID 11783873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).