CID 172712247

C2HCl3MgO — CID 172712247

IUPAC—
SMILESO=CC(Cl)(Cl)Cl.[Mg]
InChIInChI=1S/C2HCl3O.Mg/c3-2(4,5)1-6;/h1H;
InChIKeyFKBWFKDATKOYOV-UHFFFAOYSA-N
MW171.69 g/mol
LogP1.17
Rot. Bonds

About CID 172712247

CID 172712247 (PubChem CID 172712247) has the molecular formula C2HCl3MgO and a molecular weight of 171.69 g/mol.

Molecular Properties

Compound NameCID 172712247
PubChem CID172712247
Molecular FormulaC2HCl3MgO
Molecular Weight171.69 g/mol
Exact Mass169.89
IUPAC Name—
SMILESO=CC(Cl)(Cl)Cl.[Mg]
InChIInChI=1S/C2HCl3O.Mg/c3-2(4,5)1-6;/h1H;
InChIKeyFKBWFKDATKOYOV-UHFFFAOYSA-N
XLogP1.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.69
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 172712247 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 172712247?
The IUPAC name of CID 172712247 (CID 172712247) is not available.
What is the SMILES notation for CID 172712247?
The canonical SMILES for CID 172712247 is O=CC(Cl)(Cl)Cl.[Mg].
What is the InChIKey of CID 172712247?
The InChIKey is FKBWFKDATKOYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl3O.Mg/c3-2(4,5)1-6;/h1H;.
What are the key properties of CID 172712247?
CID 172712247 has a molecular weight of 171.69 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172712247 is sourced from PubChem (CID 172712247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).