Molecule

ID:95172

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₆O₂
Molecular Mass
274.1597392
Exact Mass
274.04284882
Charge
0
InChI
InChI=1S/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2
InChIKey
ZHUBFESHPMGIDZ-UHFFFAOYSA-N
Canonic Smiles
FC(COc1ccc(cc1)OCC(F)(F)F)(F)F
Isomeric Smiles
O(c1ccc(cc1)OCC(F)(F)F)CC(F)(F)F
Calculated Properties
JChem
Acid pKa
19.557745
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5680957
LogD (pH = 7.4)
3.5680957
Log P
3.5680957
Molar Refractivity
49.8846
Polarizability
18.289318
Polar Surface Area
18.46
Rotatable Bonds
6
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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