calcium;hydride;iron;hydrochloride

H3CaClFe — CID 174790905

IUPACcalcium;hydride;iron;hydrochloride
SMILESCl.[Ca+2].[Fe].[H-].[H-]
InChIInChI=1S/Ca.ClH.Fe.2H/h;1H;;;/q+2;;;2*-1
InChIKeyYLGVVGRGMBGRAE-UHFFFAOYSA-N
MW134.40 g/mol
LogP0.26
Rot. Bonds

About calcium;hydride;iron;hydrochloride

calcium;hydride;iron;hydrochloride (PubChem CID 174790905) has the molecular formula H3CaClFe and a molecular weight of 134.40 g/mol. Its IUPAC name is calcium;hydride;iron;hydrochloride.

Molecular Properties

Compound Namecalcium;hydride;iron;hydrochloride
PubChem CID174790905
Molecular FormulaH3CaClFe
Molecular Weight134.40 g/mol
Exact Mass133.89
IUPAC Namecalcium;hydride;iron;hydrochloride
SMILESCl.[Ca+2].[Fe].[H-].[H-]
InChIInChI=1S/Ca.ClH.Fe.2H/h;1H;;;/q+2;;;2*-1
InChIKeyYLGVVGRGMBGRAE-UHFFFAOYSA-N
XLogP0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.40
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze calcium;hydride;iron;hydrochloride 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

tricalcium;hydride;dihydrochloride
CID 173391877
calcium;cerium;hydride;hydrochloride
CID 175095584
calcium;alumane;hydride;iron
CID 174578778
calcium;dipotassium;hydride;iron
CID 174880267
calcium;magnesium;hydride;hydrochloride
CID 173018013
calcium;hydride;lanthanum;trihydrochloride
CID 174708207
calcium;dimagnesium;hydride;dihydrochloride
CID 175187992
calcium;hydride;iron;titanium
CID 175106010
strontium;hydride;iron;molybdenum
CID 174794055
iron;hydrochloride
CID 86633186
molybdenum;pentahydrochloride
CID 173013331
iron;molybdenum
CID 173005990

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;iron;hydrochloride?
The IUPAC name of calcium;hydride;iron;hydrochloride (CID 174790905) is calcium;hydride;iron;hydrochloride.
What is the SMILES notation for calcium;hydride;iron;hydrochloride?
The canonical SMILES for calcium;hydride;iron;hydrochloride is Cl.[Ca+2].[Fe].[H-].[H-].
What is the InChIKey of calcium;hydride;iron;hydrochloride?
The InChIKey is YLGVVGRGMBGRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.ClH.Fe.2H/h;1H;;;/q+2;;;2*-1.
What are the key properties of calcium;hydride;iron;hydrochloride?
calcium;hydride;iron;hydrochloride has a molecular weight of 134.40 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;iron;hydrochloride is sourced from PubChem (CID 174790905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).