CID 45050223

C13H12Si — CID 45050223

IUPAC—
SMILESc1ccc(C[Si]c2ccccc2)cc1
InChIInChI=1S/C13H12Si/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyRHHFWJYETSJVBT-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.22
Rot. Bonds3

About CID 45050223

CID 45050223 (PubChem CID 45050223) has the molecular formula C13H12Si and a molecular weight of 196.32 g/mol.

Molecular Properties

Compound NameCID 45050223
PubChem CID45050223
Molecular FormulaC13H12Si
Molecular Weight196.32 g/mol
Exact Mass196.07
IUPAC Name—
SMILESc1ccc(C[Si]c2ccccc2)cc1
InChIInChI=1S/C13H12Si/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyRHHFWJYETSJVBT-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 45050223?
The IUPAC name of CID 45050223 (CID 45050223) is not available.
What is the SMILES notation for CID 45050223?
The canonical SMILES for CID 45050223 is c1ccc(C[Si]c2ccccc2)cc1.
What is the InChIKey of CID 45050223?
The InChIKey is RHHFWJYETSJVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Si/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of CID 45050223?
CID 45050223 has a molecular weight of 196.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45050223 is sourced from PubChem (CID 45050223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).