CID 172727701

FeMgZr — CID 172727701

IUPAC—
SMILES[Fe].[Mg].[Zr]
InChIInChI=1S/Fe.Mg.Zr
InChIKeyHJESHPVOMVXEGE-UHFFFAOYSA-N
MW171.37 g/mol
LogP-0.39
Rot. Bonds

About CID 172727701

CID 172727701 (PubChem CID 172727701) has the molecular formula FeMgZr and a molecular weight of 171.37 g/mol.

Molecular Properties

Compound NameCID 172727701
PubChem CID172727701
Molecular FormulaFeMgZr
Molecular Weight171.37 g/mol
Exact Mass169.82
IUPAC Name—
SMILES[Fe].[Mg].[Zr]
InChIInChI=1S/Fe.Mg.Zr
InChIKeyHJESHPVOMVXEGE-UHFFFAOYSA-N
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.37
LogP ≤ 5-0.39
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 172727701?
The IUPAC name of CID 172727701 (CID 172727701) is not available.
What is the SMILES notation for CID 172727701?
The canonical SMILES for CID 172727701 is [Fe].[Mg].[Zr].
What is the InChIKey of CID 172727701?
The InChIKey is HJESHPVOMVXEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.Mg.Zr.
What are the key properties of CID 172727701?
CID 172727701 has a molecular weight of 171.37 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 172727701 is sourced from PubChem (CID 172727701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).