Molecule

ID:98535

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₉NO₂
Molecular Mass
291.0712088
Exact Mass
290.99418229
Charge
0
InChI
InChI=1S/C6H2F9NO2/c7-3(8,1-2-16(17)18)4(9,10)5(11,12)6(13,14)15/h1-2H
InChIKey
BODFJDZXURKORU-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(F)(F)F)(F)F)(F)F)(/C=C/[N+](=O)[O-])F
Isomeric Smiles
FC(C(F)(C(F)(F)C(/C=C/[N+](=O)[O-])(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3771992
LogD (pH = 7.4)
3.3771992
Log P
3.3771992
Molar Refractivity
36.8898
Polarizability
13.593858
Polar Surface Area
45.82
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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