CID 134896690

C6Fe2O6Se2 — CID 134896690

IUPAC—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Se][Se]
InChIInChI=1S/6CO.2Fe.Se2/c6*1-2;;;1-2
InChIKeyVAZASSPBNFXLCL-UHFFFAOYSA-N
MW437.67 g/mol
LogP-0.99
Rot. Bonds

About CID 134896690

CID 134896690 (PubChem CID 134896690) has the molecular formula C6Fe2O6Se2 and a molecular weight of 437.67 g/mol.

Molecular Properties

Compound NameCID 134896690
PubChem CID134896690
Molecular FormulaC6Fe2O6Se2
Molecular Weight437.67 g/mol
Exact Mass439.67
IUPAC Name—
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Se][Se]
InChIInChI=1S/6CO.2Fe.Se2/c6*1-2;;;1-2
InChIKeyVAZASSPBNFXLCL-UHFFFAOYSA-N
XLogP-0.99
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.67
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134896690?
The IUPAC name of CID 134896690 (CID 134896690) is not available.
What is the SMILES notation for CID 134896690?
The canonical SMILES for CID 134896690 is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Se][Se].
What is the InChIKey of CID 134896690?
The InChIKey is VAZASSPBNFXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/6CO.2Fe.Se2/c6*1-2;;;1-2.
What are the key properties of CID 134896690?
CID 134896690 has a molecular weight of 437.67 g/mol, XLogP of -0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134896690 is sourced from PubChem (CID 134896690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).