Molecule

ID:7264

General Information
Structure
Molecular Formula
C₁₁H₁₃F₁₃O₃Si
Molecular Mass
468.2838616
Exact Mass
468.04263767
Charge
0
InChI
InChI=1S/C11H13F13O3Si/c1-25-28(26-2,27-3)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
BVQYIDJXNYHKRK-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)OC
Isomeric Smiles
C(C(C(C(C(C(CC[Si](OC)(OC)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.991
LogD (pH = 7.4)
5.991
Log P
5.991
Molar Refractivity
59.8317
Polarizability
25.513514
Polar Surface Area
27.69
Rotatable Bonds
11
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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