Molecule

ID:9914

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₃O
Molecular Mass
252.2317496
Exact Mass
252.07619963
Charge
0
InChI
InChI=1S/C14H11F3O/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey
KFUXJOLIPMQFEL-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)OCc1ccccc1)(F)F
Isomeric Smiles
c1cc(cc(c1)C(F)(F)F)OCc1ccccc1
Calculated Properties
JChem
Log P
4.4178963
Molar Refractivity
63.1075
Polarizability
23.43263
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4178963
LogD (pH = 7.4)
4.4178963
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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