Molecule

ID:94718

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀F₂₆OSi₂
Molecular Mass
826.5016832
Exact Mass
826.06375204
Charge
0
InChI
InChI=1S/C20H20F26OSi2/c1-48(2,7-5-9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)47-49(3,4)8-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h5-8H2,1-4H3
InChIKey
TUKNJUVZUHUEOX-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Si](O[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)(C)C)F
Isomeric Smiles
FC(C(C(C(C(C(CC[Si](O[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C)(C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
13.7366
LogD (pH = 7.4)
13.7366
Log P
13.7366
Molar Refractivity
102.459
Polarizability
42.942787
Polar Surface Area
9.23
Rotatable Bonds
18
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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