Molecule

ID:98582

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂F₂O₂Si
Molecular Mass
230.2833864
Exact Mass
230.0574626
Charge
0
InChI
InChI=1S/C10H12F2O2Si/c1-15(2,3)7-5-4-6(10(13)14)8(11)9(7)12/h4-5H,1-3H3,(H,13,14)
InChIKey
ZQIOJKVRZLZAKQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1F)F)[Si](C)(C)C
Isomeric Smiles
OC(=O)c1c(c(c(cc1)[Si](C)(C)C)F)F
Calculated Properties
JChem
Acid pKa
2.9954739
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.94822145
LogD (pH = 7.4)
-0.17973515
Log P
3.4261
Molar Refractivity
49.8106
Polarizability
20.598612
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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