Molecule

ID:12032

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₉O₃
Molecular Mass
282.0611488
Exact Mass
281.99384794
Charge
0
InChI
InChI=1S/C5H3F9O3/c6-2(7,1-15)16-3(8,9)4(10,11)17-5(12,13)14/h15H,1H2
InChIKey
MRBIEXKSTURAOV-UHFFFAOYSA-N
Canonic Smiles
OCC(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OCC(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
11.924599
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5206707
LogD (pH = 7.4)
3.5206578
Log P
3.520671
Molar Refractivity
28.6507
Polarizability
12.420486
Polar Surface Area
38.69
Rotatable Bonds
6
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
No Data Available
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Molecule Details
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References
Bioactivity
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