4-chlorobenzeneseleninic acid

C6H5ClO2Se — CID 5079696

IUPAC4-chlorobenzeneseleninic acid
SMILESO=[Se](O)c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO2Se/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)
InChIKeyFYOHPHMDSXOTEK-UHFFFAOYSA-N
MW223.52 g/mol
LogP0.46
Rot. Bonds1

About 4-chlorobenzeneseleninic acid

4-chlorobenzeneseleninic acid (PubChem CID 5079696) has the molecular formula C6H5ClO2Se and a molecular weight of 223.52 g/mol. Its IUPAC name is 4-chlorobenzeneseleninic acid.

Molecular Properties

Compound Name4-chlorobenzeneseleninic acid
PubChem CID5079696
Molecular FormulaC6H5ClO2Se
Molecular Weight223.52 g/mol
Exact Mass223.91
IUPAC Name4-chlorobenzeneseleninic acid
SMILESO=[Se](O)c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO2Se/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)
InChIKeyFYOHPHMDSXOTEK-UHFFFAOYSA-N
XLogP0.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.52
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chlorobenzeneseleninic acid 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 4-chlorobenzeneseleninic acid?
The IUPAC name of 4-chlorobenzeneseleninic acid (CID 5079696) is 4-chlorobenzeneseleninic acid.
What is the SMILES notation for 4-chlorobenzeneseleninic acid?
The canonical SMILES for 4-chlorobenzeneseleninic acid is O=[Se](O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzeneseleninic acid?
The InChIKey is FYOHPHMDSXOTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2Se/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9).
What are the key properties of 4-chlorobenzeneseleninic acid?
4-chlorobenzeneseleninic acid has a molecular weight of 223.52 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzeneseleninic acid is sourced from PubChem (CID 5079696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).