Calcium--gallium (1/2)

CaGa2 — CID 78062156

IUPAC—
SMILES[Ca].[Ga].[Ga]
InChIInChI=1S/Ca.2Ga
InChIKeyIMBSJWRDKFMVRH-UHFFFAOYSA-N
MW179.52 g/mol
LogP-1.14
Rot. Bonds

About Calcium--gallium (1/2)

Calcium--gallium (1/2) (PubChem CID 78062156) has the molecular formula CaGa2 and a molecular weight of 179.52 g/mol.

Molecular Properties

Compound NameCalcium--gallium (1/2)
PubChem CID78062156
Molecular FormulaCaGa2
Molecular Weight179.52 g/mol
Exact Mass177.81
IUPAC Name—
SMILES[Ca].[Ga].[Ga]
InChIInChI=1S/Ca.2Ga
InChIKeyIMBSJWRDKFMVRH-UHFFFAOYSA-N
XLogP-1.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.52
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Calcium--gallium (1/2)?
The IUPAC name of Calcium--gallium (1/2) (CID 78062156) is not available.
What is the SMILES notation for Calcium--gallium (1/2)?
The canonical SMILES for Calcium--gallium (1/2) is [Ca].[Ga].[Ga].
What is the InChIKey of Calcium--gallium (1/2)?
The InChIKey is IMBSJWRDKFMVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.2Ga.
What are the key properties of Calcium--gallium (1/2)?
Calcium--gallium (1/2) has a molecular weight of 179.52 g/mol, XLogP of -1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Calcium--gallium (1/2) is sourced from PubChem (CID 78062156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).