CID 173054190

H6CdGaInSe2 — CID 173054190

IUPAC—
SMILES[Cd].[GaH3].[InH3].[Se].[Se]
InChIInChI=1S/Cd.Ga.In.2Se.6H
InChIKeyQFYCIMPDOSWMAI-UHFFFAOYSA-N
MW460.92 g/mol
LogP-3.13
Rot. Bonds

About CID 173054190

CID 173054190 (PubChem CID 173054190) has the molecular formula H6CdGaInSe2 and a molecular weight of 460.92 g/mol.

Molecular Properties

Compound NameCID 173054190
PubChem CID173054190
Molecular FormulaH6CdGaInSe2
Molecular Weight460.92 g/mol
Exact Mass463.61
IUPAC Name—
SMILES[Cd].[GaH3].[InH3].[Se].[Se]
InChIInChI=1S/Cd.Ga.In.2Se.6H
InChIKeyQFYCIMPDOSWMAI-UHFFFAOYSA-N
XLogP-3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 5-3.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 CID 173054190?
The IUPAC name of CID 173054190 (CID 173054190) is not available.
What is the SMILES notation for CID 173054190?
The canonical SMILES for CID 173054190 is [Cd].[GaH3].[InH3].[Se].[Se].
What is the InChIKey of CID 173054190?
The InChIKey is QFYCIMPDOSWMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/Cd.Ga.In.2Se.6H.
What are the key properties of CID 173054190?
CID 173054190 has a molecular weight of 460.92 g/mol, XLogP of -3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173054190 is sourced from PubChem (CID 173054190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).