Molecule

ID:93609

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₇O
Molecular Mass
214.0814224
Exact Mass
214.02286232
Charge
0
InChI
InChI=1S/C5H5F7O/c6-3(1-2-13,4(7,8)9)5(10,11)12/h13H,1-2H2
InChIKey
KKVIDVONCZYZLR-UHFFFAOYSA-N
Canonic Smiles
OCCC(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(F)(F)C(C(F)(F)F)(CCO)F
Calculated Properties
JChem
Acid pKa
15.834173
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6361006
LogD (pH = 7.4)
1.6361006
Log P
1.6361006
Molar Refractivity
28.1869
Polarizability
10.450006
Polar Surface Area
20.23
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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