Molecule

ID:93821

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₇O₃
Molecular Mass
258.0909224
Exact Mass
258.01269156
Charge
0
InChI
InChI=1S/C6H5F7O3/c1-2-15-3(14)4(7,8)5(9,10)16-6(11,12)13/h2H2,1H3
InChIKey
FWSIBYOKQDWWRA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(OC(F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(F)(F)C(C(=O)OCC)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5471776
LogD (pH = 7.4)
3.5471776
Log P
3.5471776
Molar Refractivity
30.6052
Polarizability
13.286694
Polar Surface Area
35.53
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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