CID 173028508

H2CuGaSSe — CID 173028508

IUPAC—
SMILESS.[Cu].[Ga]=[Se]
InChIInChI=1S/Cu.Ga.H2S.Se/h;;1H2;
InChIKeyBFFLGFYZRYCDPH-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.65
Rot. Bonds

About CID 173028508

CID 173028508 (PubChem CID 173028508) has the molecular formula H2CuGaSSe and a molecular weight of 246.31 g/mol.

Molecular Properties

Compound NameCID 173028508
PubChem CID173028508
Molecular FormulaH2CuGaSSe
Molecular Weight246.31 g/mol
Exact Mass245.76
IUPAC Name—
SMILESS.[Cu].[Ga]=[Se]
InChIInChI=1S/Cu.Ga.H2S.Se/h;;1H2;
InChIKeyBFFLGFYZRYCDPH-UHFFFAOYSA-N
XLogP-0.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.65
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 173028508?
The IUPAC name of CID 173028508 (CID 173028508) is not available.
What is the SMILES notation for CID 173028508?
The canonical SMILES for CID 173028508 is S.[Cu].[Ga]=[Se].
What is the InChIKey of CID 173028508?
The InChIKey is BFFLGFYZRYCDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.Ga.H2S.Se/h;;1H2;.
What are the key properties of CID 173028508?
CID 173028508 has a molecular weight of 246.31 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173028508 is sourced from PubChem (CID 173028508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).