Molecule

ID:94634

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃F₁₇O₃Si
Molecular Mass
568.2988744
Exact Mass
568.03625055
Charge
0
InChI
InChI=1S/C13H13F17O3Si/c1-31-34(32-2,33-3)5-4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h4-5H2,1-3H3
InChIKey
HJIMAFKWSKZMBK-UHFFFAOYSA-N
Canonic Smiles
CO[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)OC
Isomeric Smiles
[Si](CCC(F)(F)C(F)(F)C(F)(C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)(OC)(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.66
LogD (pH = 7.4)
7.66
Log P
7.66
Molar Refractivity
69.1677
Polarizability
29.260067
Polar Surface Area
27.69
Rotatable Bonds
13
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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