copper;gallium;indium(3+);tetraselenite

CuGaInO12Se4 — CID 173071235

IUPACcopper;gallium;indium(3+);tetraselenite
SMILESO=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Cu+2].[Ga+3].[In+3]
InChIInChI=1S/Cu.Ga.In.4H2O3Se/c;;;4*1-4(2)3/h;;;4*(H2,1,2,3)/q+2;2*+3;;;;/p-8
InChIKeyYRFJRQDKLAOKJG-UHFFFAOYSA-F
MW755.92 g/mol
LogP-12.27
Rot. Bonds

About copper;gallium;indium(3+);tetraselenite

copper;gallium;indium(3+);tetraselenite (PubChem CID 173071235) has the molecular formula CuGaInO12Se4 and a molecular weight of 755.92 g/mol. Its IUPAC name is copper;gallium;indium(3+);tetraselenite.

Molecular Properties

Compound Namecopper;gallium;indium(3+);tetraselenite
PubChem CID173071235
Molecular FormulaCuGaInO12Se4
Molecular Weight755.92 g/mol
Exact Mass758.36
IUPAC Namecopper;gallium;indium(3+);tetraselenite
SMILESO=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Cu+2].[Ga+3].[In+3]
InChIInChI=1S/Cu.Ga.In.4H2O3Se/c;;;4*1-4(2)3/h;;;4*(H2,1,2,3)/q+2;2*+3;;;;/p-8
InChIKeyYRFJRQDKLAOKJG-UHFFFAOYSA-F
XLogP-12.27
TPSA252.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 5-12.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze copper;gallium;indium(3+);tetraselenite 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

Gallium;indium(3+);triselenite
CID 173040399
Dicopper;bis(indium(3+));pentaselenite
CID 173052086

Frequently Asked Questions

What is the IUPAC name of copper;gallium;indium(3+);tetraselenite?
The IUPAC name of copper;gallium;indium(3+);tetraselenite (CID 173071235) is copper;gallium;indium(3+);tetraselenite.
What is the SMILES notation for copper;gallium;indium(3+);tetraselenite?
The canonical SMILES for copper;gallium;indium(3+);tetraselenite is O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Cu+2].[Ga+3].[In+3].
What is the InChIKey of copper;gallium;indium(3+);tetraselenite?
The InChIKey is YRFJRQDKLAOKJG-UHFFFAOYSA-F. The full InChI is InChI=1S/Cu.Ga.In.4H2O3Se/c;;;4*1-4(2)3/h;;;4*(H2,1,2,3)/q+2;2*+3;;;;/p-8.
What are the key properties of copper;gallium;indium(3+);tetraselenite?
copper;gallium;indium(3+);tetraselenite has a molecular weight of 755.92 g/mol, XLogP of -12.27, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;gallium;indium(3+);tetraselenite is sourced from PubChem (CID 173071235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).