Molecule

ID:66063

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉F₃O
Molecular Mass
238.2051696
Exact Mass
238.06054957
Charge
0
InChI
InChI=1S/C13H9F3O/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H
InChIKey
NCKLXFNNEBEKEA-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)Oc1ccccc1)(F)F
Isomeric Smiles
c1(cc(ccc1)C(F)(F)F)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3513813
LogD (pH = 7.4)
4.3513813
Log P
4.3513813
Molar Refractivity
58.2725
Polarizability
21.668945
Polar Surface Area
9.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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