Molecule

ID:54461

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FN₂Si
Molecular Mass
218.3023432
Exact Mass
218.06755311
Charge
0
InChI
InChI=1S/C11H11FN2Si/c1-15(2,3)5-4-9-6-10(12)11(7-13)14-8-9/h6,8H,1-3H3
InChIKey
LLWNCDQABKNLAA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cc1F)C#C[Si](C)(C)C
Isomeric Smiles
c1(cnc(c(c1)F)C#N)C#C[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0875
LogD (pH = 7.4)
3.0875
Log P
3.0875
Molar Refractivity
49.7037
Polarizability
21.977821
Polar Surface Area
36.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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