About CID 173137615
CID 173137615 (PubChem CID 173137615) has the molecular formula C14H33Cl2NSi2Zr
and a molecular weight of 433.73 g/mol.
Molecular Properties
| Compound Name | CID 173137615 |
|---|
| PubChem CID | 173137615 |
|---|
| Molecular Formula | C14H33Cl2NSi2Zr |
|---|
| Molecular Weight | 433.73 g/mol |
|---|
| Exact Mass | 431.06 |
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| IUPAC Name | — |
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| SMILES | CC(C)(C)[NH-].C[SiH]C.C[Si](C)C.Cl.Cl.[C-]1=CC=CC1.[Zr+2] |
|---|
| InChI | InChI=1S/C5H5.C4H10N.C3H9Si.C2H7Si.2ClH.Zr/c1-2-4-5-3-1;1-4(2,3)5;1-4(2)3;1-3-2;;;/h1-3H,4H2;5H,1-3H3;1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;;+2 |
|---|
| InChIKey | SSCYGBVVDSTRNF-UHFFFAOYSA-N |
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| XLogP | 5.87 |
|---|
| TPSA | 23.80 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
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 433.73 |
| LogP ≤ 5 | 5.87 |
| 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': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 173137615?
The IUPAC name of CID 173137615 (CID 173137615) is not available.
What is the SMILES notation for CID 173137615?
The canonical SMILES for CID 173137615 is CC(C)(C)[NH-].C[SiH]C.C[Si](C)C.Cl.Cl.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of CID 173137615?
The InChIKey is SSCYGBVVDSTRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H10N.C3H9Si.C2H7Si.2ClH.Zr/c1-2-4-5-3-1;1-4(2,3)5;1-4(2)3;1-3-2;;;/h1-3H,4H2;5H,1-3H3;1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;;+2.
What are the key properties of CID 173137615?
CID 173137615 has a molecular weight of 433.73 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173137615 is sourced from PubChem (CID 173137615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).