Molecule

ID:98815

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₁₃O₂Si
Molecular Mass
452.2844616
Exact Mass
452.04772305
Charge
0
InChI
InChI=1S/C11H13F13O2Si/c1-25-27(3,26-2)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3
InChIKey
UWZZATWXHUNWJV-UHFFFAOYSA-N
Canonic Smiles
CO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)C
Isomeric Smiles
FC(F)(C(F)(F)C(CC[Si](OC)(OC)C)(F)F)C(C(F)(F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.758
LogD (pH = 7.4)
5.758
Log P
5.758
Molar Refractivity
59.1441
Polarizability
24.681953
Polar Surface Area
18.46
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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