CID 159622234

CuInSSe — CID 159622234

IUPAC—
SMILESS=[Se].[Cu].[In]
InChIInChI=1S/Cu.In.SSe/c;;1-2
InChIKeyMOAPOQQDYQRCET-UHFFFAOYSA-N
MW289.39 g/mol
LogP-0.12
Rot. Bonds

About CID 159622234

CID 159622234 (PubChem CID 159622234) has the molecular formula CuInSSe and a molecular weight of 289.39 g/mol.

Molecular Properties

Compound NameCID 159622234
PubChem CID159622234
Molecular FormulaCuInSSe
Molecular Weight289.39 g/mol
Exact Mass289.72
IUPAC Name—
SMILESS=[Se].[Cu].[In]
InChIInChI=1S/Cu.In.SSe/c;;1-2
InChIKeyMOAPOQQDYQRCET-UHFFFAOYSA-N
XLogP-0.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 159622234?
The IUPAC name of CID 159622234 (CID 159622234) is not available.
What is the SMILES notation for CID 159622234?
The canonical SMILES for CID 159622234 is S=[Se].[Cu].[In].
What is the InChIKey of CID 159622234?
The InChIKey is MOAPOQQDYQRCET-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.In.SSe/c;;1-2.
What are the key properties of CID 159622234?
CID 159622234 has a molecular weight of 289.39 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159622234 is sourced from PubChem (CID 159622234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).