Molecule

ID:93615

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₅O₃Si
Molecular Mass
330.323216
Exact Mass
330.07106197
Charge
0
InChI
InChI=1S/C12H15F5O3Si/c1-4-18-21(19-5-2,20-6-3)12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3
InChIKey
QALDFNLNVLQDSP-UHFFFAOYSA-N
Canonic Smiles
CCO[Si](c1c(F)c(F)c(c(c1F)F)F)(OCC)OCC
Isomeric Smiles
[Si](c1c(c(c(c(c1F)F)F)F)F)(OCC)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9473
LogD (pH = 7.4)
3.9473
Log P
3.9473
Molar Refractivity
61.9428
Polarizability
25.395247
Polar Surface Area
27.69
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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