About CID 159406774
CID 159406774 (PubChem CID 159406774) has the molecular formula C12H15Cl2SiZr
and a molecular weight of 349.47 g/mol.
Molecular Properties
| Compound Name | CID 159406774 |
|---|
| PubChem CID | 159406774 |
|---|
| Molecular Formula | C12H15Cl2SiZr |
|---|
| Molecular Weight | 349.47 g/mol |
|---|
| Exact Mass | 346.94 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CC1=CC=CC1(C)[SiH]C1C=CC=C1.[Cl-].[Cl-].[Zr+2] |
|---|
| InChI | InChI=1S/C12H15Si.2ClH.Zr/c1-10-6-5-9-12(10,2)13-11-7-3-4-8-11;;;/h3-9,11,13H,1-2H3;2*1H;/q;;;+2/p-2 |
|---|
| InChIKey | LOBFZDMOPCDWIP-UHFFFAOYSA-L |
|---|
| XLogP | -2.96 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 16 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 349.47 |
| LogP ≤ 5 | -2.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 159406774?
The IUPAC name of CID 159406774 (CID 159406774) is not available.
What is the SMILES notation for CID 159406774?
The canonical SMILES for CID 159406774 is CC1=CC=CC1(C)[SiH]C1C=CC=C1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of CID 159406774?
The InChIKey is LOBFZDMOPCDWIP-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H15Si.2ClH.Zr/c1-10-6-5-9-12(10,2)13-11-7-3-4-8-11;;;/h3-9,11,13H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 159406774?
CID 159406774 has a molecular weight of 349.47 g/mol, XLogP of -2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159406774 is sourced from PubChem (CID 159406774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).