CID 173100879

H6CuGaInSe — CID 173100879

IUPAC—
SMILES[Cu].[GaH2].[InH3].[SeH]
InChIInChI=1S/Cu.Ga.In.HSe.5H/h;;;1H;;;;;
InChIKeyGKYWOHYPQUMXFJ-UHFFFAOYSA-N
MW333.10 g/mol
LogP-2.75
Rot. Bonds

About CID 173100879

CID 173100879 (PubChem CID 173100879) has the molecular formula H6CuGaInSe and a molecular weight of 333.10 g/mol.

Molecular Properties

Compound NameCID 173100879
PubChem CID173100879
Molecular FormulaH6CuGaInSe
Molecular Weight333.10 g/mol
Exact Mass332.72
IUPAC Name—
SMILES[Cu].[GaH2].[InH3].[SeH]
InChIInChI=1S/Cu.Ga.In.HSe.5H/h;;;1H;;;;;
InChIKeyGKYWOHYPQUMXFJ-UHFFFAOYSA-N
XLogP-2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.10
LogP ≤ 5-2.75
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 173100879?
The IUPAC name of CID 173100879 (CID 173100879) is not available.
What is the SMILES notation for CID 173100879?
The canonical SMILES for CID 173100879 is [Cu].[GaH2].[InH3].[SeH].
What is the InChIKey of CID 173100879?
The InChIKey is GKYWOHYPQUMXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.Ga.In.HSe.5H/h;;;1H;;;;;.
What are the key properties of CID 173100879?
CID 173100879 has a molecular weight of 333.10 g/mol, XLogP of -2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173100879 is sourced from PubChem (CID 173100879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).