Molecule

ID:99366

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₁₀O
Molecular Mass
282.079392
Exact Mass
282.01024695
Charge
0
InChI
InChI=1S/C6H4F10O/c7-2(8)4(11,12)6(15,16)5(13,14)3(9,10)1-17/h2,17H,1H2
InChIKey
DYJNIUWJUXNOOR-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OCC(C(F)(C(C(F)(F)C(F)F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.621079
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7503295
LogD (pH = 7.4)
2.7503269
Log P
2.7503295
Molar Refractivity
31.4937
Polarizability
12.49312
Polar Surface Area
20.23
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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