CID 172810500

BaCaMgSi — CID 172810500

IUPAC—
SMILES[Ba].[Ca].[Mg].[Si]
InChIInChI=1S/Ba.Ca.Mg.Si
InChIKeySCKYCOWCCWWTLE-UHFFFAOYSA-N
MW229.80 g/mol
LogP-1.52
Rot. Bonds

About CID 172810500

CID 172810500 (PubChem CID 172810500) has the molecular formula BaCaMgSi and a molecular weight of 229.80 g/mol.

Molecular Properties

Compound NameCID 172810500
PubChem CID172810500
Molecular FormulaBaCaMgSi
Molecular Weight229.80 g/mol
Exact Mass229.83
IUPAC Name—
SMILES[Ba].[Ca].[Mg].[Si]
InChIInChI=1S/Ba.Ca.Mg.Si
InChIKeySCKYCOWCCWWTLE-UHFFFAOYSA-N
XLogP-1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.80
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172810500?
The IUPAC name of CID 172810500 (CID 172810500) is not available.
What is the SMILES notation for CID 172810500?
The canonical SMILES for CID 172810500 is [Ba].[Ca].[Mg].[Si].
What is the InChIKey of CID 172810500?
The InChIKey is SCKYCOWCCWWTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Ca.Mg.Si.
What are the key properties of CID 172810500?
CID 172810500 has a molecular weight of 229.80 g/mol, XLogP of -1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172810500 is sourced from PubChem (CID 172810500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).