About CID 134902619
CID 134902619 (PubChem CID 134902619) has the molecular formula C16H15Gd-
and a molecular weight of 364.55 g/mol.
Molecular Properties
| Compound Name | CID 134902619 |
|---|
| PubChem CID | 134902619 |
|---|
| Molecular Formula | C16H15Gd- |
|---|
| Molecular Weight | 364.55 g/mol |
|---|
| Exact Mass | 365.04 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Gd].[c-]1ccccc1 |
|---|
| InChI | InChI=1S/C6H5.2C5H5.Gd/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-5H;2*1-5H;/q-1;;; |
|---|
| InChIKey | HAQALTDOJOYCKO-UHFFFAOYSA-N |
|---|
| XLogP | 3.53 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 17 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 364.55 |
| LogP ≤ 5 | 3.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 134902619?
The IUPAC name of CID 134902619 (CID 134902619) is not available.
What is the SMILES notation for CID 134902619?
The canonical SMILES for CID 134902619 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Gd].[c-]1ccccc1.
What is the InChIKey of CID 134902619?
The InChIKey is HAQALTDOJOYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.2C5H5.Gd/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-5H;2*1-5H;/q-1;;;.
What are the key properties of CID 134902619?
CID 134902619 has a molecular weight of 364.55 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902619 is sourced from PubChem (CID 134902619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).