Molecule

ID:8296

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₃O₃
Molecular Mass
170.0866096
Exact Mass
170.01907868
Charge
0
InChI
InChI=1S/C5H5F3O3/c1-2-11-4(10)3(9)5(6,7)8/h2H2,1H3
InChIKey
KJHQVUNUOIEYSV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)C(F)(F)F
Isomeric Smiles
C(C(=O)C(=O)OCC)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.934238
LogD (pH = 7.4)
1.934238
Log P
1.934238
Molar Refractivity
28.5176
Polarizability
10.721147
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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