CID 89454939

C8H6ClNSi — CID 89454939

IUPAC—
SMILESCl[Si]n1ccc2ccccc21
InChIInChI=1S/C8H6ClNSi/c9-11-10-6-5-7-3-1-2-4-8(7)10/h1-6H
InChIKeyHIZGHXABAUGXNX-UHFFFAOYSA-N
MW179.68 g/mol
LogP2.26
Rot. Bonds1

About CID 89454939

CID 89454939 (PubChem CID 89454939) has the molecular formula C8H6ClNSi and a molecular weight of 179.68 g/mol.

Molecular Properties

Compound NameCID 89454939
PubChem CID89454939
Molecular FormulaC8H6ClNSi
Molecular Weight179.68 g/mol
Exact Mass179.00
IUPAC Name—
SMILESCl[Si]n1ccc2ccccc21
InChIInChI=1S/C8H6ClNSi/c9-11-10-6-5-7-3-1-2-4-8(7)10/h1-6H
InChIKeyHIZGHXABAUGXNX-UHFFFAOYSA-N
XLogP2.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.68
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 89454939 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 89454939?
The IUPAC name of CID 89454939 (CID 89454939) is not available.
What is the SMILES notation for CID 89454939?
The canonical SMILES for CID 89454939 is Cl[Si]n1ccc2ccccc21.
What is the InChIKey of CID 89454939?
The InChIKey is HIZGHXABAUGXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNSi/c9-11-10-6-5-7-3-1-2-4-8(7)10/h1-6H.
What are the key properties of CID 89454939?
CID 89454939 has a molecular weight of 179.68 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89454939 is sourced from PubChem (CID 89454939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).