About CID 173223253
CID 173223253 (PubChem CID 173223253) has the molecular formula C22H20Cl2HfSi
and a molecular weight of 561.88 g/mol.
Molecular Properties
| Compound Name | CID 173223253 |
|---|
| PubChem CID | 173223253 |
|---|
| Molecular Formula | C22H20Cl2HfSi |
|---|
| Molecular Weight | 561.88 g/mol |
|---|
| Exact Mass | 562.02 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C=C[Si]C=C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1 |
|---|
| InChI | InChI=1S/2C9H7.C4H6Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2;;;/h2*1-7H;3-4H,1-2H2;2*1H;/q2*-1;;;;+4/p-2 |
|---|
| InChIKey | PILQXAOFLPSLHA-UHFFFAOYSA-L |
|---|
| XLogP | 0.10 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 26 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 561.88 |
| LogP ≤ 5 | 0.10 |
| 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'} |
|---|
Analyze CID 173223253 with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of CID 173223253?
The IUPAC name of CID 173223253 (CID 173223253) is not available.
What is the SMILES notation for CID 173223253?
The canonical SMILES for CID 173223253 is C=C[Si]C=C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173223253?
The InChIKey is PILQXAOFLPSLHA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C4H6Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2;;;/h2*1-7H;3-4H,1-2H2;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173223253?
CID 173223253 has a molecular weight of 561.88 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173223253 is sourced from PubChem (CID 173223253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).