Molecule

ID:100438

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉F₂₁O₃Si
Molecular Mass
710.3936272
Exact Mass
710.07681362
Charge
0
InChI
InChI=1S/C18H19F21O3Si/c1-4-40-43(41-5-2,42-6-3)8-7-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h4-8H2,1-3H3
InChIKey
KWEUJTRPCBXYLS-UHFFFAOYSA-N
Canonic Smiles
CCO[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)(OCC)OCC
Isomeric Smiles
[Si](OCC)(OCC)(OCC)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)
10.3565
LogD (pH = 7.4)
10.3565
Log P
10.3565
Molar Refractivity
92.7495
Polarizability
37.97129
Polar Surface Area
27.69
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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