CID 59102128

C5H9AuSSe — CID 59102128

IUPAC—
SMILES[Au].[Se]C1CCCCS1
InChIInChI=1S/C5H9SSe.Au/c7-5-3-1-2-4-6-5;/h5H,1-4H2;
InChIKeyNSZMLDPXISVCEY-UHFFFAOYSA-N
MW377.12 g/mol
LogP1.40
Rot. Bonds

About CID 59102128

CID 59102128 (PubChem CID 59102128) has the molecular formula C5H9AuSSe and a molecular weight of 377.12 g/mol.

Molecular Properties

Compound NameCID 59102128
PubChem CID59102128
Molecular FormulaC5H9AuSSe
Molecular Weight377.12 g/mol
Exact Mass377.93
IUPAC Name—
SMILES[Au].[Se]C1CCCCS1
InChIInChI=1S/C5H9SSe.Au/c7-5-3-1-2-4-6-5;/h5H,1-4H2;
InChIKeyNSZMLDPXISVCEY-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 59102128 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59102128?
The IUPAC name of CID 59102128 (CID 59102128) is not available.
What is the SMILES notation for CID 59102128?
The canonical SMILES for CID 59102128 is [Au].[Se]C1CCCCS1.
What is the InChIKey of CID 59102128?
The InChIKey is NSZMLDPXISVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9SSe.Au/c7-5-3-1-2-4-6-5;/h5H,1-4H2;.
What are the key properties of CID 59102128?
CID 59102128 has a molecular weight of 377.12 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102128 is sourced from PubChem (CID 59102128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).