About CID 173224182
CID 173224182 (PubChem CID 173224182) has the molecular formula C32H27Cl2HfNSi
and a molecular weight of 703.06 g/mol.
Molecular Properties
| Compound Name | CID 173224182 |
|---|
| PubChem CID | 173224182 |
|---|
| Molecular Formula | C32H27Cl2HfNSi |
|---|
| Molecular Weight | 703.06 g/mol |
|---|
| Exact Mass | 703.08 |
|---|
| IUPAC Name | — |
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| SMILES | Cc1cccc([NH-])c1.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2.c1ccc([Si]c2ccccc2)cc1 |
|---|
| InChI | InChI=1S/C13H9.C12H10Si.C7H8N.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;1-6-3-2-4-7(8)5-6;;;/h1-5,7-8H,9H2;1-10H;2-5,8H,1H3;2*1H;/q-1;;-1;;;+4/p-2 |
|---|
| InChIKey | BDDXUZRZCJYDMK-UHFFFAOYSA-L |
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| XLogP | 1.08 |
|---|
| TPSA | 23.80 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 703.06 |
| LogP ≤ 5 | 1.08 |
| 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 173224182?
The IUPAC name of CID 173224182 (CID 173224182) is not available.
What is the SMILES notation for CID 173224182?
The canonical SMILES for CID 173224182 is Cc1cccc([NH-])c1.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2.c1ccc([Si]c2ccccc2)cc1.
What is the InChIKey of CID 173224182?
The InChIKey is BDDXUZRZCJYDMK-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C12H10Si.C7H8N.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;1-6-3-2-4-7(8)5-6;;;/h1-5,7-8H,9H2;1-10H;2-5,8H,1H3;2*1H;/q-1;;-1;;;+4/p-2.
What are the key properties of CID 173224182?
CID 173224182 has a molecular weight of 703.06 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173224182 is sourced from PubChem (CID 173224182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).