dicopper;digallium;pentakis(selenium(2-))

Cu2Ga2Se5 — CID 18767324

IUPACdicopper;digallium;pentakis(selenium(2-))
SMILES[Cu+2].[Cu+2].[Ga+3].[Ga+3].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2]
InChIInChI=1S/2Cu.2Ga.5Se/q2*+2;2*+3;5*-2
InChIKeyLVNRWXKKNVRMRE-UHFFFAOYSA-N
MW661.34 g/mol
LogP-2.67
Rot. Bonds

About dicopper;digallium;pentakis(selenium(2-))

dicopper;digallium;pentakis(selenium(2-)) (PubChem CID 18767324) has the molecular formula Cu2Ga2Se5 and a molecular weight of 661.34 g/mol. Its IUPAC name is dicopper;digallium;pentakis(selenium(2-)).

Molecular Properties

Compound Namedicopper;digallium;pentakis(selenium(2-))
PubChem CID18767324
Molecular FormulaCu2Ga2Se5
Molecular Weight661.34 g/mol
Exact Mass663.29
IUPAC Namedicopper;digallium;pentakis(selenium(2-))
SMILES[Cu+2].[Cu+2].[Ga+3].[Ga+3].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2]
InChIInChI=1S/2Cu.2Ga.5Se/q2*+2;2*+3;5*-2
InChIKeyLVNRWXKKNVRMRE-UHFFFAOYSA-N
XLogP-2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.34
LogP ≤ 5-2.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dicopper;digallium;pentakis(selenium(2-)) 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 dicopper;digallium;pentakis(selenium(2-))?
The IUPAC name of dicopper;digallium;pentakis(selenium(2-)) (CID 18767324) is dicopper;digallium;pentakis(selenium(2-)).
What is the SMILES notation for dicopper;digallium;pentakis(selenium(2-))?
The canonical SMILES for dicopper;digallium;pentakis(selenium(2-)) is [Cu+2].[Cu+2].[Ga+3].[Ga+3].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].
What is the InChIKey of dicopper;digallium;pentakis(selenium(2-))?
The InChIKey is LVNRWXKKNVRMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2Cu.2Ga.5Se/q2*+2;2*+3;5*-2.
What are the key properties of dicopper;digallium;pentakis(selenium(2-))?
dicopper;digallium;pentakis(selenium(2-)) has a molecular weight of 661.34 g/mol, XLogP of -2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;digallium;pentakis(selenium(2-)) is sourced from PubChem (CID 18767324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).