Molecule

ID:99282

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃F₂₁O₃Si
Molecular Mass
668.3138872
Exact Mass
668.02986343
Charge
0
InChI
InChI=1S/C15H13F21O3Si/c1-37-40(38-2,39-3)5-4-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h4-5H2,1-3H3
InChIKey
VQIWEYGMCDFBSW-UHFFFAOYSA-N
Canonic Smiles
CO[Si](CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)OC
Isomeric Smiles
[Si](OC)(OC)(OC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
9.329
LogD (pH = 7.4)
9.329
Log P
9.329
Molar Refractivity
78.5037
Polarizability
33.032753
Polar Surface Area
27.69
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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