Molecule

ID:96893

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₆O₂
Molecular Mass
286.1704392
Exact Mass
286.04284882
Charge
0
InChI
InChI=1S/C11H8F6O2/c1-2-19-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3
InChIKey
NBWZJMOEFTYMOF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1cc(cc(c1)C(=O)OCC)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0892277
LogD (pH = 7.4)
4.0892277
Log P
4.0892277
Molar Refractivity
54.7793
Polarizability
19.44312
Polar Surface Area
26.3
Rotatable Bonds
5
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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