Molecule

ID:8095

General Information
Structure
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Molecular Formula
C₁₄H₉F₃O₂
Molecular Mass
266.2152696
Exact Mass
266.05546419
Charge
0
InChI
InChI=1S/C14H9F3O2/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKey
WVVLURYIQCXPIV-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)CC(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
c1ccc2c(c1)cc(cc2)C(=O)CC(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
7.861347
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.872668
LogD (pH = 7.4)
3.7457147
Log P
3.8745527
Molar Refractivity
63.8164
Polarizability
24.500553
Polar Surface Area
34.14
Rotatable Bonds
4
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
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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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