Molecule

ID:95165

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₁₀O
Molecular Mass
282.079392
Exact Mass
282.01024695
Charge
0
InChI
InChI=1S/C6H4F10O/c7-2(5(12,13)14)6(15,16)17-1-4(10,11)3(8)9/h2-3H,1H2
InChIKey
DOESGSGKEZIPFW-UHFFFAOYSA-N
Canonic Smiles
FC(C(COC(C(C(F)(F)F)F)(F)F)(F)F)F
Isomeric Smiles
O(CC(F)(F)C(F)F)C(C(F)C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
14.988771
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3555198
LogD (pH = 7.4)
3.3555195
Log P
3.3555198
Molar Refractivity
32.5265
Polarizability
12.546349
Polar Surface Area
9.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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