Molecule
ID:96279
General Information
Molecular Formula
C₁₂H₁₂F₂O₂
Molecular Mass
226.2192864
Exact Mass
226.08053606
Charge
0
InChI
InChI=1S/C12H12F2O2/c1-16-10(15)11-4-2-3-5-6(4)7(11)8(5)12(13,14)9(3)11/h3-9H,2H2,1H3
InChIKey
HZUCKQVPGJAKGK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C12C3CC4C2C(C2C1C3C42)(F)F
Isomeric Smiles
FC1(C2C3(C4C1C1C4C3CC21)C(=O)OC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8394854
LogD (pH = 7.4)
0.8394854
Log P
0.8394854
Molar Refractivity
49.6748
Polarizability
19.579266
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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