About CID 167595787
CID 167595787 (PubChem CID 167595787) has the molecular formula C4H11B4U4-
and a molecular weight of 1054.50 g/mol.
Molecular Properties
| Compound Name | CID 167595787 |
|---|
| PubChem CID | 167595787 |
|---|
| Molecular Formula | C4H11B4U4- |
|---|
| Molecular Weight | 1054.50 g/mol |
|---|
| Exact Mass | 1055.33 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [B]C.[B]C.[B]C.[B][CH2-].[U].[U].[U].[U] |
|---|
| InChI | InChI=1S/3CH3B.CH2B.4U/c4*1-2;;;;/h3*1H3;1H2;;;;/q;;;-1;;;; |
|---|
| InChIKey | WGKXQAHZDHSXNW-UHFFFAOYSA-N |
|---|
| XLogP | 0.56 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 12 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 1054.50 |
| LogP ≤ 5 | 0.56 |
| 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 167595787 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 167595787?
The IUPAC name of CID 167595787 (CID 167595787) is not available.
What is the SMILES notation for CID 167595787?
The canonical SMILES for CID 167595787 is [B]C.[B]C.[B]C.[B][CH2-].[U].[U].[U].[U].
What is the InChIKey of CID 167595787?
The InChIKey is WGKXQAHZDHSXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH3B.CH2B.4U/c4*1-2;;;;/h3*1H3;1H2;;;;/q;;;-1;;;;.
What are the key properties of CID 167595787?
CID 167595787 has a molecular weight of 1054.50 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167595787 is sourced from PubChem (CID 167595787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).