CID 158697970

BaCeFe — CID 158697970

IUPAC—
SMILES[Ba].[Ce].[Fe]
InChIInChI=1S/Ba.Ce.Fe
InChIKeyIHEKGHANPFDZSI-UHFFFAOYSA-N
MW333.29 g/mol
LogP-0.38
Rot. Bonds

About CID 158697970

CID 158697970 (PubChem CID 158697970) has the molecular formula BaCeFe and a molecular weight of 333.29 g/mol.

Molecular Properties

Compound NameCID 158697970
PubChem CID158697970
Molecular FormulaBaCeFe
Molecular Weight333.29 g/mol
Exact Mass333.75
IUPAC Name—
SMILES[Ba].[Ce].[Fe]
InChIInChI=1S/Ba.Ce.Fe
InChIKeyIHEKGHANPFDZSI-UHFFFAOYSA-N
XLogP-0.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 158697970?
The IUPAC name of CID 158697970 (CID 158697970) is not available.
What is the SMILES notation for CID 158697970?
The canonical SMILES for CID 158697970 is [Ba].[Ce].[Fe].
What is the InChIKey of CID 158697970?
The InChIKey is IHEKGHANPFDZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ce.Fe.
What are the key properties of CID 158697970?
CID 158697970 has a molecular weight of 333.29 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158697970 is sourced from PubChem (CID 158697970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).