CID 57181596

C12H8NSi — CID 57181596

IUPAC—
SMILESC1=Cc2nc3ccccc3cc2[Si]=C1
InChIInChI=1S/C12H8NSi/c1-2-5-10-9(4-1)8-12-11(13-10)6-3-7-14-12/h1-8H
InChIKeyHJPSPSIYIQFPCL-UHFFFAOYSA-N
MW194.29 g/mol
LogP1.39
Rot. Bonds

About CID 57181596

CID 57181596 (PubChem CID 57181596) has the molecular formula C12H8NSi and a molecular weight of 194.29 g/mol.

Molecular Properties

Compound NameCID 57181596
PubChem CID57181596
Molecular FormulaC12H8NSi
Molecular Weight194.29 g/mol
Exact Mass194.04
IUPAC Name—
SMILESC1=Cc2nc3ccccc3cc2[Si]=C1
InChIInChI=1S/C12H8NSi/c1-2-5-10-9(4-1)8-12-11(13-10)6-3-7-14-12/h1-8H
InChIKeyHJPSPSIYIQFPCL-UHFFFAOYSA-N
XLogP1.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 57181596?
The IUPAC name of CID 57181596 (CID 57181596) is not available.
What is the SMILES notation for CID 57181596?
The canonical SMILES for CID 57181596 is C1=Cc2nc3ccccc3cc2[Si]=C1.
What is the InChIKey of CID 57181596?
The InChIKey is HJPSPSIYIQFPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8NSi/c1-2-5-10-9(4-1)8-12-11(13-10)6-3-7-14-12/h1-8H.
What are the key properties of CID 57181596?
CID 57181596 has a molecular weight of 194.29 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57181596 is sourced from PubChem (CID 57181596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).