aluminum;calcium;iron(3+);tetrakis(oxygen(2-))

AlCaFeO4 — CID 173308072

IUPACaluminum;calcium;iron(3+);tetrakis(oxygen(2-))
SMILES[Al+3].[Ca+2].[Fe+3].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/Al.Ca.Fe.4O/q+3;+2;+3;4*-2
InChIKeyQFNSFNCNRVYDAE-UHFFFAOYSA-N
MW186.90 g/mol
LogP-1.24
Rot. Bonds

About aluminum;calcium;iron(3+);tetrakis(oxygen(2-))

aluminum;calcium;iron(3+);tetrakis(oxygen(2-)) (PubChem CID 173308072) has the molecular formula AlCaFeO4 and a molecular weight of 186.90 g/mol. Its IUPAC name is aluminum;calcium;iron(3+);tetrakis(oxygen(2-)).

Molecular Properties

Compound Namealuminum;calcium;iron(3+);tetrakis(oxygen(2-))
PubChem CID173308072
Molecular FormulaAlCaFeO4
Molecular Weight186.90 g/mol
Exact Mass186.86
IUPAC Namealuminum;calcium;iron(3+);tetrakis(oxygen(2-))
SMILES[Al+3].[Ca+2].[Fe+3].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/Al.Ca.Fe.4O/q+3;+2;+3;4*-2
InChIKeyQFNSFNCNRVYDAE-UHFFFAOYSA-N
XLogP-1.24
TPSA114.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.90
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze aluminum;calcium;iron(3+);tetrakis(oxygen(2-)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetraaluminum;bis(iron(3+));nonakis(oxygen(2-))
CID 173130023
dialuminum;dicalcium;bis(barium(2+));heptakis(oxygen(2-))
CID 24834218
aluminum;calcium;magnesium;tris(oxygen(2-))
CID 158336999
tetraaluminum;tetrakis(oxygen(2-))
CID 172815542
aluminum;calcium;sodium;oxygen(2-);silicon(4+)
CID 155926046
CID 173147546
CID 173147546
aluminum;oxygen(2-);palladium(2+)
CID 175897188
iron;molybdenum;tris(oxygen(2-))
CID 173070418
dialuminum;chromium(3+);oxygen(2-)
CID 159427909
dialuminum;distrontium;tetrakis(oxygen(2-))
CID 138394977
CID 173333038
CID 173333038
iron;bis(iron(3+));tris(oxygen(2-))
CID 173005806

Frequently Asked Questions

What is the IUPAC name of aluminum;calcium;iron(3+);tetrakis(oxygen(2-))?
The IUPAC name of aluminum;calcium;iron(3+);tetrakis(oxygen(2-)) (CID 173308072) is aluminum;calcium;iron(3+);tetrakis(oxygen(2-)).
What is the SMILES notation for aluminum;calcium;iron(3+);tetrakis(oxygen(2-))?
The canonical SMILES for aluminum;calcium;iron(3+);tetrakis(oxygen(2-)) is [Al+3].[Ca+2].[Fe+3].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of aluminum;calcium;iron(3+);tetrakis(oxygen(2-))?
The InChIKey is QFNSFNCNRVYDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.Fe.4O/q+3;+2;+3;4*-2.
What are the key properties of aluminum;calcium;iron(3+);tetrakis(oxygen(2-))?
aluminum;calcium;iron(3+);tetrakis(oxygen(2-)) has a molecular weight of 186.90 g/mol, XLogP of -1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;iron(3+);tetrakis(oxygen(2-)) is sourced from PubChem (CID 173308072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).