Molecule

ID:66468

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₃O₂
Molecular Mass
266.2152696
Exact Mass
266.05546419
Charge
0
InChI
InChI=1S/C14H9F3O2/c15-14(16,17)12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(18)19/h1-8H,(H,18,19)
InChIKey
BJKGBAVGLRYCTK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1(cc(ccc1)C(=O)O)c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.99867
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.645144
LogD (pH = 7.4)
0.9960703
Log P
4.1559024
Molar Refractivity
64.4241
Polarizability
24.590275
Polar Surface Area
37.3
Rotatable Bonds
3
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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