Molecule

ID:11976

General Information
Structure
Molecular Formula
C₇H₆F₆O₂
Molecular Mass
236.1117592
Exact Mass
236.02719875
Charge
0
InChI
InChI=1S/C7H6F6O2/c1-2-3-4(14)15-5(6(8,9)10)7(11,12)13/h2-3,5H,1H3/b3-2+
InChIKey
DCARLDZSCMKDNZ-NSCUHMNNSA-N
Canonic Smiles
C/C=C/C(=O)OC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(=O)(/C=C/C)OC(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.017307
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2687693
LogD (pH = 7.4)
3.2687693
Log P
3.2687693
Molar Refractivity
38.3044
Polarizability
13.767909
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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