About CID 10930667
CID 10930667 (PubChem CID 10930667) has the molecular formula C36H32Mo2O2P2
and a molecular weight of 750.48 g/mol.
Molecular Properties
| Compound Name | CID 10930667 |
|---|
| PubChem CID | 10930667 |
|---|
| Molecular Formula | C36H32Mo2O2P2 |
|---|
| Molecular Weight | 750.48 g/mol |
|---|
| Exact Mass | 754.00 |
|---|
| IUPAC Name | — |
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| SMILES | [C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Mo]=[Mo].c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1 |
|---|
| InChI | InChI=1S/2C12H11P.2C5H5.2CO.2Mo/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;2*1-2;;/h2*1-10,13H;2*1-5H;;;; |
|---|
| InChIKey | BYVCRLMBACWNQD-UHFFFAOYSA-N |
|---|
| XLogP | 6.59 |
|---|
| TPSA | 39.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 750.48 |
| LogP ≤ 5 | 6.59 |
| 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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 10930667?
The IUPAC name of CID 10930667 (CID 10930667) is not available.
What is the SMILES notation for CID 10930667?
The canonical SMILES for CID 10930667 is [C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Mo]=[Mo].c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of CID 10930667?
The InChIKey is BYVCRLMBACWNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11P.2C5H5.2CO.2Mo/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;2*1-2;;/h2*1-10,13H;2*1-5H;;;;.
What are the key properties of CID 10930667?
CID 10930667 has a molecular weight of 750.48 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10930667 is sourced from PubChem (CID 10930667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).