CID 175734408

AlFeO — CID 175734408

IUPAC—
SMILES[Al].[Fe+2].[O-2]
InChIInChI=1S/Al.Fe.O/q;+2;-2
InChIKeyOXVYXMXXTCTGCN-UHFFFAOYSA-N
MW98.83 g/mol
LogP-0.50
Rot. Bonds

About CID 175734408

CID 175734408 (PubChem CID 175734408) has the molecular formula AlFeO and a molecular weight of 98.83 g/mol.

Molecular Properties

Compound NameCID 175734408
PubChem CID175734408
Molecular FormulaAlFeO
Molecular Weight98.83 g/mol
Exact Mass98.91
IUPAC Name—
SMILES[Al].[Fe+2].[O-2]
InChIInChI=1S/Al.Fe.O/q;+2;-2
InChIKeyOXVYXMXXTCTGCN-UHFFFAOYSA-N
XLogP-0.50
TPSA28.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.83
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 175734408 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

iron(2+);osmium(4+);tris(oxygen(2-))
CID 160639724
iron(2+);oxygen(2-);zirconium
CID 175724896
dysprosium(3+);iron(2+);oxygen(2-)
CID 158258234
aluminum;iron(2+);bis(oxygen(2-))
CID 160736363
antimony(3+);iron(2+);oxygen(2-)
CID 161001355
sodium;iron(2+);oxygen(2-);titanium(4+)
CID 159698905
azane;iron(2+);oxygen(2-);dihydrate
CID 172756089
copper;gold(3+);iron(2+);oxygen(2-)
CID 157065305
aluminum;iron(2+);tetrakis(oxygen(2-));yttrium(3+)
CID 158682820
CID 173272409
CID 173272409
CID 171000020
CID 171000020
oxygen(2-)
CID 134158454

Frequently Asked Questions

What is the IUPAC name of CID 175734408?
The IUPAC name of CID 175734408 (CID 175734408) is not available.
What is the SMILES notation for CID 175734408?
The canonical SMILES for CID 175734408 is [Al].[Fe+2].[O-2].
What is the InChIKey of CID 175734408?
The InChIKey is OXVYXMXXTCTGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Fe.O/q;+2;-2.
What are the key properties of CID 175734408?
CID 175734408 has a molecular weight of 98.83 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175734408 is sourced from PubChem (CID 175734408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).