Molecule

ID:93959

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)10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(18)19/h1-8H,(H,18,19)
InChIKey
XBWKOWZGGKOHBN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1c1cccc(c1)C(F)(F)F
Isomeric Smiles
OC(=O)c1c(cccc1)c1cccc(c1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.6769567
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3348355
LogD (pH = 7.4)
0.84129196
Log P
4.1559024
Molar Refractivity
64.4241
Polarizability
24.595652
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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