About CID 11975160
CID 11975160 (PubChem CID 11975160) has the molecular formula C18H18Co2O8S
and a molecular weight of 512.27 g/mol.
Molecular Properties
| Compound Name | CID 11975160 |
|---|
| PubChem CID | 11975160 |
|---|
| Molecular Formula | C18H18Co2O8S |
|---|
| Molecular Weight | 512.27 g/mol |
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| Exact Mass | 511.94 |
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| IUPAC Name | — |
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| SMILES | [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]=[C]C(CCCCC(=O)OC)SCC=C.[Co].[Co] |
|---|
| InChI | InChI=1S/C12H18O2S.6CO.2Co/c1-4-10-15-11(5-2)8-6-7-9-12(13)14-3;6*1-2;;/h2,4,11H,1,6-10H2,3H3;;;;;;;; |
|---|
| InChIKey | GGRPYWBDOFUAIS-UHFFFAOYSA-N |
|---|
| XLogP | 2.57 |
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| TPSA | 145.70 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 512.27 |
| LogP ≤ 5 | 2.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 11975160?
The IUPAC name of CID 11975160 (CID 11975160) is not available.
What is the SMILES notation for CID 11975160?
The canonical SMILES for CID 11975160 is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]=[C]C(CCCCC(=O)OC)SCC=C.[Co].[Co].
What is the InChIKey of CID 11975160?
The InChIKey is GGRPYWBDOFUAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S.6CO.2Co/c1-4-10-15-11(5-2)8-6-7-9-12(13)14-3;6*1-2;;/h2,4,11H,1,6-10H2,3H3;;;;;;;;.
What are the key properties of CID 11975160?
CID 11975160 has a molecular weight of 512.27 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11975160 is sourced from PubChem (CID 11975160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).