About CID 159811375
CID 159811375 (PubChem CID 159811375) has the molecular formula BLaTaW
and a molecular weight of 514.51 g/mol.
Molecular Properties
| Compound Name | CID 159811375 |
|---|
| PubChem CID | 159811375 |
|---|
| Molecular Formula | BLaTaW |
|---|
| Molecular Weight | 514.51 g/mol |
|---|
| Exact Mass | 514.81 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [B].[La].[Ta].[W] |
|---|
| InChI | InChI=1S/B.La.Ta.W |
|---|
| InChIKey | NLBKFTDVFVILPM-UHFFFAOYSA-N |
|---|
| XLogP | -0.39 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 4 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 514.51 |
| LogP ≤ 5 | -0.39 |
| 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 159811375?
The IUPAC name of CID 159811375 (CID 159811375) is not available.
What is the SMILES notation for CID 159811375?
The canonical SMILES for CID 159811375 is [B].[La].[Ta].[W].
What is the InChIKey of CID 159811375?
The InChIKey is NLBKFTDVFVILPM-UHFFFAOYSA-N. The full InChI is InChI=1S/B.La.Ta.W.
What are the key properties of CID 159811375?
CID 159811375 has a molecular weight of 514.51 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159811375 is sourced from PubChem (CID 159811375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).