Molecule

ID:6555

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₆O₂
Molecular Mass
236.1117592
Exact Mass
236.02719875
Charge
0
InChI
InChI=1S/C7H6F6O2/c1-2-15-5(14)3-4(6(8,9)10)7(11,12)13/h3H,2H2,1H3
InChIKey
CULZFNOUPBWSIZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C=C(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(=O)(C=C(C(F)(F)F)C(F)(F)F)OCC
Calculated Properties
JChem
Acid pKa
18.797737
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6278331
LogD (pH = 7.4)
2.6278331
Log P
2.6278331
Molar Refractivity
38.6296
Polarizability
13.768608
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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