Molecule

ID:98487

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃O₂Si
Molecular Mass
248.2738496
Exact Mass
248.04804078
Charge
0
InChI
InChI=1S/C10H11F3O2Si/c1-16(2,3)9-6(12)4-5(11)7(8(9)13)10(14)15/h4H,1-3H3,(H,14,15)
InChIKey
AYCRHOMHAQRBFZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(F)cc(c(c1F)[Si](C)(C)C)F
Isomeric Smiles
Fc1cc(c(c(c1C(=O)O)F)[Si](C)(C)C)F
Calculated Properties
JChem
Acid pKa
2.6972616
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8161602
LogD (pH = 7.4)
-0.07594975
Log P
3.5656
Molar Refractivity
50.027
Polarizability
20.442337
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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