About CID 134888704
CID 134888704 (PubChem CID 134888704) has the molecular formula C17H11MnO2
and a molecular weight of 302.21 g/mol.
Molecular Properties
| Compound Name | CID 134888704 |
|---|
| PubChem CID | 134888704 |
|---|
| Molecular Formula | C17H11MnO2 |
|---|
| Molecular Weight | 302.21 g/mol |
|---|
| Exact Mass | 302.01 |
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| IUPAC Name | — |
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| SMILES | C#Cc1ccc(C#C)cc1.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[Mn] |
|---|
| InChI | InChI=1S/C10H6.C5H5.2CO.Mn/c1-3-9-5-7-10(4-2)8-6-9;1-2-4-5-3-1;2*1-2;/h1-2,5-8H;1-5H;;; |
|---|
| InChIKey | USCWCYXOJOFBAY-UHFFFAOYSA-N |
|---|
| XLogP | 2.89 |
|---|
| TPSA | 39.80 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 | 20 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 302.21 |
| LogP ≤ 5 | 2.89 |
| 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': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 134888704?
The IUPAC name of CID 134888704 (CID 134888704) is not available.
What is the SMILES notation for CID 134888704?
The canonical SMILES for CID 134888704 is C#Cc1ccc(C#C)cc1.[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[Mn].
What is the InChIKey of CID 134888704?
The InChIKey is USCWCYXOJOFBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6.C5H5.2CO.Mn/c1-3-9-5-7-10(4-2)8-6-9;1-2-4-5-3-1;2*1-2;/h1-2,5-8H;1-5H;;;.
What are the key properties of CID 134888704?
CID 134888704 has a molecular weight of 302.21 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888704 is sourced from PubChem (CID 134888704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).