Molecule

ID:54554

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₃N₂Si
Molecular Mass
258.3150296
Exact Mass
258.08000962
Charge
0
InChI
InChI=1S/C11H13F3N2Si/c1-17(2,3)9-7-4-5-15-10(7)16-6-8(9)11(12,13)14/h4-6H,1-3H3,(H,15,16)
InChIKey
FNUJUBLSTKUWMI-UHFFFAOYSA-N
Canonic Smiles
FC(c1cnc2c(c1[Si](C)(C)C)cc[nH]2)(F)F
Isomeric Smiles
c1(cnc2c(c1[Si](C)(C)C)cc[nH]2)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.298435
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7306318
LogD (pH = 7.4)
3.733365
Log P
3.7334
Molar Refractivity
56.9775
Polarizability
23.487469
Polar Surface Area
28.68
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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