About CID 173238438
CID 173238438 (PubChem CID 173238438) has the molecular formula C35H33Cl2HfNSi
and a molecular weight of 745.14 g/mol.
Molecular Properties
| Compound Name | CID 173238438 |
|---|
| PubChem CID | 173238438 |
|---|
| Molecular Formula | C35H33Cl2HfNSi |
|---|
| Molecular Weight | 745.14 g/mol |
|---|
| Exact Mass | 745.12 |
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| IUPAC Name | — |
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| SMILES | CC(C)(C)c1ccccc1[NH-].[Cl-].[Cl-].[Hf+4].c1ccc([Si]c2ccccc2)cc1.c1ccc2c(c1)[cH-]c1ccccc12 |
|---|
| InChI | InChI=1S/C13H9.C12H10Si.C10H14N.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)8-6-4-5-7-9(8)11;;;/h1-9H;1-10H;4-7,11H,1-3H3;2*1H;/q-1;;-1;;;+4/p-2 |
|---|
| InChIKey | WSIOXHFGVBKCRD-UHFFFAOYSA-L |
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| XLogP | 2.73 |
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| TPSA | 23.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 745.14 |
| LogP ≤ 5 | 2.73 |
| 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 173238438?
The IUPAC name of CID 173238438 (CID 173238438) is not available.
What is the SMILES notation for CID 173238438?
The canonical SMILES for CID 173238438 is CC(C)(C)c1ccccc1[NH-].[Cl-].[Cl-].[Hf+4].c1ccc([Si]c2ccccc2)cc1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 173238438?
The InChIKey is WSIOXHFGVBKCRD-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C12H10Si.C10H14N.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)8-6-4-5-7-9(8)11;;;/h1-9H;1-10H;4-7,11H,1-3H3;2*1H;/q-1;;-1;;;+4/p-2.
What are the key properties of CID 173238438?
CID 173238438 has a molecular weight of 745.14 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173238438 is sourced from PubChem (CID 173238438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).