Molecule

ID:95144

General Information
Structure
MolImage
Molecular Formula
C₁₃H₆F₆O₂
Molecular Mass
308.1759592
Exact Mass
308.02719875
Charge
0
InChI
InChI=1S/C13H6F6O2/c14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-2-1-10(6-20)21-11/h1-6H
InChIKey
LVHIVPKNRURKIV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
o1c(ccc1C=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.068918
LogD (pH = 7.4)
4.068918
Log P
4.068918
Molar Refractivity
61.994
Polarizability
22.596922
Polar Surface Area
30.21
Rotatable Bonds
4
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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