CID 67393892

C9H8ClSi — CID 67393892

IUPAC—
SMILESC1=Cc2ccccc2C1.[Si]Cl
InChIInChI=1S/C9H8.ClSi/c1-2-5-9-7-3-6-8(9)4-1;1-2/h1-6H,7H2;
InChIKeyYJOKNHGSYBQKFW-UHFFFAOYSA-N
MW179.70 g/mol
LogP2.56
Rot. Bonds

About CID 67393892

CID 67393892 (PubChem CID 67393892) has the molecular formula C9H8ClSi and a molecular weight of 179.70 g/mol.

Molecular Properties

Compound NameCID 67393892
PubChem CID67393892
Molecular FormulaC9H8ClSi
Molecular Weight179.70 g/mol
Exact Mass179.01
IUPAC Name—
SMILESC1=Cc2ccccc2C1.[Si]Cl
InChIInChI=1S/C9H8.ClSi/c1-2-5-9-7-3-6-8(9)4-1;1-2/h1-6H,7H2;
InChIKeyYJOKNHGSYBQKFW-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.70
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67393892?
The IUPAC name of CID 67393892 (CID 67393892) is not available.
What is the SMILES notation for CID 67393892?
The canonical SMILES for CID 67393892 is C1=Cc2ccccc2C1.[Si]Cl.
What is the InChIKey of CID 67393892?
The InChIKey is YJOKNHGSYBQKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.ClSi/c1-2-5-9-7-3-6-8(9)4-1;1-2/h1-6H,7H2;.
What are the key properties of CID 67393892?
CID 67393892 has a molecular weight of 179.70 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67393892 is sourced from PubChem (CID 67393892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).