Molecule

ID:12022

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₃O₂
Molecular Mass
154.0872096
Exact Mass
154.02416406
Charge
0
InChI
InChI=1S/C5H5F3O2/c1-3(4(9)10-2)5(6,7)8/h1H2,2H3
InChIKey
GTRBXMICTQNNIN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=C)C(F)(F)F
Isomeric Smiles
C(=O)(C(=C)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6721523
LogD (pH = 7.4)
1.6721523
Log P
1.6721523
Molar Refractivity
27.3501
Polarizability
10.195249
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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