chlororhenium;methanone

C5H5ClO5Re-5 — CID 57461241

IUPACchlororhenium;methanone
SMILESCl[Re].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O
InChIInChI=1S/5CHO.ClH.Re/c5*1-2;;/h5*1H;1H;/q5*-1;;+1/p-1
InChIKeyLUUOLXQCZQJFKI-UHFFFAOYSA-M
MW366.75 g/mol
LogP-0.68
Rot. Bonds

About chlororhenium;methanone

chlororhenium;methanone (PubChem CID 57461241) has the molecular formula C5H5ClO5Re-5 and a molecular weight of 366.75 g/mol. Its IUPAC name is chlororhenium;methanone.

Molecular Properties

Compound Namechlororhenium;methanone
PubChem CID57461241
Molecular FormulaC5H5ClO5Re-5
Molecular Weight366.75 g/mol
Exact Mass366.94
IUPAC Namechlororhenium;methanone
SMILESCl[Re].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O
InChIInChI=1S/5CHO.ClH.Re/c5*1-2;;/h5*1H;1H;/q5*-1;;+1/p-1
InChIKeyLUUOLXQCZQJFKI-UHFFFAOYSA-M
XLogP-0.68
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze chlororhenium;methanone 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 chlororhenium;methanone?
The IUPAC name of chlororhenium;methanone (CID 57461241) is chlororhenium;methanone.
What is the SMILES notation for chlororhenium;methanone?
The canonical SMILES for chlororhenium;methanone is Cl[Re].[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.
What is the InChIKey of chlororhenium;methanone?
The InChIKey is LUUOLXQCZQJFKI-UHFFFAOYSA-M. The full InChI is InChI=1S/5CHO.ClH.Re/c5*1-2;;/h5*1H;1H;/q5*-1;;+1/p-1.
What are the key properties of chlororhenium;methanone?
chlororhenium;methanone has a molecular weight of 366.75 g/mol, XLogP of -0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chlororhenium;methanone is sourced from PubChem (CID 57461241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).