CID 57276041

C17H13ClSi — CID 57276041

IUPAC—
SMILESCl[Si]C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H13ClSi/c18-19-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H
InChIKeyKXTQGZXMOWXMDP-UHFFFAOYSA-N
MW280.83 g/mol
LogP4.79
Rot. Bonds3

About CID 57276041

CID 57276041 (PubChem CID 57276041) has the molecular formula C17H13ClSi and a molecular weight of 280.83 g/mol.

Molecular Properties

Compound NameCID 57276041
PubChem CID57276041
Molecular FormulaC17H13ClSi
Molecular Weight280.83 g/mol
Exact Mass280.05
IUPAC Name—
SMILESCl[Si]C(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H13ClSi/c18-19-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H
InChIKeyKXTQGZXMOWXMDP-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.83
LogP ≤ 54.79
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 57276041?
The IUPAC name of CID 57276041 (CID 57276041) is not available.
What is the SMILES notation for CID 57276041?
The canonical SMILES for CID 57276041 is Cl[Si]C(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of CID 57276041?
The InChIKey is KXTQGZXMOWXMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClSi/c18-19-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H.
What are the key properties of CID 57276041?
CID 57276041 has a molecular weight of 280.83 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57276041 is sourced from PubChem (CID 57276041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).