Molecule
ID:96469
General Information
Molecular Formula
C₁₆H₁₄F₂O
Molecular Mass
260.2785664
Exact Mass
260.10127151
Charge
0
InChI
InChI=1S/C16H14F2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2
InChIKey
YAKFETHTYBAIJR-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)F)(c1ccc(cc1)F)C1CC1
Isomeric Smiles
OC(C1CC1)(c1ccc(cc1)F)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
13.169246
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8411665
LogD (pH = 7.4)
3.8411658
Log P
3.8411665
Molar Refractivity
69.6221
Polarizability
26.486847
Polar Surface Area
20.23
Rotatable Bonds
3
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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