aluminum;calcium;fluoride;silicate

AlCaFO4Si — CID 173280710

IUPACaluminum;calcium;fluoride;silicate
SMILES[Al+3].[Ca+2].[F-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Al.Ca.FH.O4Si/c;;;1-5(2,3)4/h;;1H;/q+3;+2;;-4/p-1
InChIKeyWZRGSIPGRVPJRQ-UHFFFAOYSA-M
MW178.14 g/mol
LogP-8.89
Rot. Bonds

About aluminum;calcium;fluoride;silicate

aluminum;calcium;fluoride;silicate (PubChem CID 173280710) has the molecular formula AlCaFO4Si and a molecular weight of 178.14 g/mol. Its IUPAC name is aluminum;calcium;fluoride;silicate.

Molecular Properties

Compound Namealuminum;calcium;fluoride;silicate
PubChem CID173280710
Molecular FormulaAlCaFO4Si
Molecular Weight178.14 g/mol
Exact Mass177.90
IUPAC Namealuminum;calcium;fluoride;silicate
SMILES[Al+3].[Ca+2].[F-].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Al.Ca.FH.O4Si/c;;;1-5(2,3)4/h;;1H;/q+3;+2;;-4/p-1
InChIKeyWZRGSIPGRVPJRQ-UHFFFAOYSA-M
XLogP-8.89
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-8.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze aluminum;calcium;fluoride;silicate 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 aluminum;calcium;fluoride;silicate?
The IUPAC name of aluminum;calcium;fluoride;silicate (CID 173280710) is aluminum;calcium;fluoride;silicate.
What is the SMILES notation for aluminum;calcium;fluoride;silicate?
The canonical SMILES for aluminum;calcium;fluoride;silicate is [Al+3].[Ca+2].[F-].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of aluminum;calcium;fluoride;silicate?
The InChIKey is WZRGSIPGRVPJRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/Al.Ca.FH.O4Si/c;;;1-5(2,3)4/h;;1H;/q+3;+2;;-4/p-1.
What are the key properties of aluminum;calcium;fluoride;silicate?
aluminum;calcium;fluoride;silicate has a molecular weight of 178.14 g/mol, XLogP of -8.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;fluoride;silicate is sourced from PubChem (CID 173280710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).