bis(indium(3+));triselenite

In2O9Se3 — CID 158710292

IUPACbis(indium(3+));triselenite
SMILESO=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[In+3].[In+3]
InChIInChI=1S/2In.3H2O3Se/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6
InChIKeyIIPZPWKJEUKUCA-UHFFFAOYSA-H
MW610.51 g/mol
LogP-9.39
Rot. Bonds

About bis(indium(3+));triselenite

bis(indium(3+));triselenite (PubChem CID 158710292) has the molecular formula In2O9Se3 and a molecular weight of 610.51 g/mol. Its IUPAC name is bis(indium(3+));triselenite.

Molecular Properties

Compound Namebis(indium(3+));triselenite
PubChem CID158710292
Molecular FormulaIn2O9Se3
Molecular Weight610.51 g/mol
Exact Mass613.51
IUPAC Namebis(indium(3+));triselenite
SMILESO=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[In+3].[In+3]
InChIInChI=1S/2In.3H2O3Se/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6
InChIKeyIIPZPWKJEUKUCA-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 ≤ 500610.51
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 bis(indium(3+));triselenite?
The IUPAC name of bis(indium(3+));triselenite (CID 158710292) is bis(indium(3+));triselenite.
What is the SMILES notation for bis(indium(3+));triselenite?
The canonical SMILES for bis(indium(3+));triselenite is O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[In+3].[In+3].
What is the InChIKey of bis(indium(3+));triselenite?
The InChIKey is IIPZPWKJEUKUCA-UHFFFAOYSA-H. The full InChI is InChI=1S/2In.3H2O3Se/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6.
What are the key properties of bis(indium(3+));triselenite?
bis(indium(3+));triselenite has a molecular weight of 610.51 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 bis(indium(3+));triselenite is sourced from PubChem (CID 158710292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).