Molecule

ID:99853

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉F₂₅O₃Si
Molecular Mass
810.40864
Exact Mass
810.0704265
Charge
0
InChI
InChI=1S/C20H19F25O3Si/c1-4-46-49(47-5-2,48-6-3)8-7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h4-8H2,1-3H3
InChIKey
CBZXLVMVIMSMCZ-UHFFFAOYSA-N
Canonic Smiles
CCO[Si](CCC(C(C(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)(F)F)(F)F)(OCC)OCC
Isomeric Smiles
[Si](CCC(C(C(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)(F)F)(F)F)(OCC)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
12.0255
LogD (pH = 7.4)
12.0255
Log P
12.0255
Molar Refractivity
102.0855
Polarizability
41.72283
Polar Surface Area
27.69
Rotatable Bonds
20
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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