gallium;indium(3+);triselenite

GaInO9Se3 — CID 173040399

IUPACgallium;indium(3+);triselenite
SMILESO=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Ga+3].[In+3]
InChIInChI=1S/Ga.In.3H2O3Se/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6
InChIKeyDGTYFHQPDCGJNQ-UHFFFAOYSA-H
MW565.41 g/mol
LogP-9.39
Rot. Bonds

About gallium;indium(3+);triselenite

gallium;indium(3+);triselenite (PubChem CID 173040399) has the molecular formula GaInO9Se3 and a molecular weight of 565.41 g/mol. Its IUPAC name is gallium;indium(3+);triselenite.

Molecular Properties

Compound Namegallium;indium(3+);triselenite
PubChem CID173040399
Molecular FormulaGaInO9Se3
Molecular Weight565.41 g/mol
Exact Mass567.53
IUPAC Namegallium;indium(3+);triselenite
SMILESO=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Ga+3].[In+3]
InChIInChI=1S/Ga.In.3H2O3Se/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6
InChIKeyDGTYFHQPDCGJNQ-UHFFFAOYSA-H
XLogP-9.39
TPSA189.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.41
LogP ≤ 5-9.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 gallium;indium(3+);triselenite?
The IUPAC name of gallium;indium(3+);triselenite (CID 173040399) is gallium;indium(3+);triselenite.
What is the SMILES notation for gallium;indium(3+);triselenite?
The canonical SMILES for gallium;indium(3+);triselenite is O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Ga+3].[In+3].
What is the InChIKey of gallium;indium(3+);triselenite?
The InChIKey is DGTYFHQPDCGJNQ-UHFFFAOYSA-H. The full InChI is InChI=1S/Ga.In.3H2O3Se/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6.
What are the key properties of gallium;indium(3+);triselenite?
gallium;indium(3+);triselenite has a molecular weight of 565.41 g/mol, XLogP of -9.39, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;indium(3+);triselenite is sourced from PubChem (CID 173040399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).