CID 172830978

Ca2Fe2 — CID 172830978

IUPAC—
SMILES[Ca].[Ca].[Fe].[Fe]
InChIInChI=1S/2Ca.2Fe
InChIKeyVMUGKWTWGZFLCY-UHFFFAOYSA-N
MW191.85 g/mol
LogP-0.77
Rot. Bonds

About CID 172830978

CID 172830978 (PubChem CID 172830978) has the molecular formula Ca2Fe2 and a molecular weight of 191.85 g/mol.

Molecular Properties

Compound NameCID 172830978
PubChem CID172830978
Molecular FormulaCa2Fe2
Molecular Weight191.85 g/mol
Exact Mass191.80
IUPAC Name—
SMILES[Ca].[Ca].[Fe].[Fe]
InChIInChI=1S/2Ca.2Fe
InChIKeyVMUGKWTWGZFLCY-UHFFFAOYSA-N
XLogP-0.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.85
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 172830978 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

CID 158836147
CID 158836147
copper;iron;sulfane
CID 3081378
iron;sulfane;titanium
CID 172786170
CID 172826837
CID 172826837
iron;selane;sulfane;tellane
CID 175206514
CID 172764286
CID 172764286
CID 172760966
CID 172760966
CID 172856792
CID 172856792
calcium;magnesium;azane;hydride;iron;silane;sulfane
CID 174528538
azane;sulfane
CID 173112419
iron;pentahydrofluoride
CID 173198495
iron;hydrobromide
CID 174609869

Frequently Asked Questions

What is the IUPAC name of CID 172830978?
The IUPAC name of CID 172830978 (CID 172830978) is not available.
What is the SMILES notation for CID 172830978?
The canonical SMILES for CID 172830978 is [Ca].[Ca].[Fe].[Fe].
What is the InChIKey of CID 172830978?
The InChIKey is VMUGKWTWGZFLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.2Fe.
What are the key properties of CID 172830978?
CID 172830978 has a molecular weight of 191.85 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172830978 is sourced from PubChem (CID 172830978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).