calcium;trichloroiron;dihydroxide

H2CaCl3FeO2 — CID 174872796

IUPACcalcium;trichloroiron;dihydroxide
SMILESCl[Fe](Cl)Cl.[Ca+2].[OH-].[OH-]
InChIInChI=1S/Ca.3ClH.Fe.2H2O/h;3*1H;;2*1H2/q+2;;;;+3;;/p-5
InChIKeyOQMGMMLQRYEOMK-UHFFFAOYSA-I
MW236.30 g/mol
LogP1.33
Rot. Bonds

About calcium;trichloroiron;dihydroxide

calcium;trichloroiron;dihydroxide (PubChem CID 174872796) has the molecular formula H2CaCl3FeO2 and a molecular weight of 236.30 g/mol. Its IUPAC name is calcium;trichloroiron;dihydroxide.

Molecular Properties

Compound Namecalcium;trichloroiron;dihydroxide
PubChem CID174872796
Molecular FormulaH2CaCl3FeO2
Molecular Weight236.30 g/mol
Exact Mass234.81
IUPAC Namecalcium;trichloroiron;dihydroxide
SMILESCl[Fe](Cl)Cl.[Ca+2].[OH-].[OH-]
InChIInChI=1S/Ca.3ClH.Fe.2H2O/h;3*1H;;2*1H2/q+2;;;;+3;;/p-5
InChIKeyOQMGMMLQRYEOMK-UHFFFAOYSA-I
XLogP1.33
TPSA60.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze calcium;trichloroiron;dihydroxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of calcium;trichloroiron;dihydroxide?
The IUPAC name of calcium;trichloroiron;dihydroxide (CID 174872796) is calcium;trichloroiron;dihydroxide.
What is the SMILES notation for calcium;trichloroiron;dihydroxide?
The canonical SMILES for calcium;trichloroiron;dihydroxide is Cl[Fe](Cl)Cl.[Ca+2].[OH-].[OH-].
What is the InChIKey of calcium;trichloroiron;dihydroxide?
The InChIKey is OQMGMMLQRYEOMK-UHFFFAOYSA-I. The full InChI is InChI=1S/Ca.3ClH.Fe.2H2O/h;3*1H;;2*1H2/q+2;;;;+3;;/p-5.
What are the key properties of calcium;trichloroiron;dihydroxide?
calcium;trichloroiron;dihydroxide has a molecular weight of 236.30 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;trichloroiron;dihydroxide is sourced from PubChem (CID 174872796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).