Molecule

ID:93608

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₇O
Molecular Mass
212.0655424
Exact Mass
212.00721226
Charge
0
InChI
InChI=1S/C5H3F7O/c6-3(1-2-13,4(7,8)9)5(10,11)12/h2H,1H2
InChIKey
FRWNFXLINJSLBN-UHFFFAOYSA-N
Canonic Smiles
O=CCC(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
O=CCC(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
-0.6551241
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.3610328
LogD (pH = 7.4)
-1.3614817
Log P
1.8226228
Molar Refractivity
26.8878
Polarizability
9.985838
Polar Surface Area
17.07
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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