Molecule

ID:42320

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃NO₂S
Molecular Mass
239.2148296
Exact Mass
239.02278416
Charge
0
InChI
InChI=1S/C8H8F3NO2S/c1-3-14-7(13)5-6(8(9,10)11)12-4(2)15-5/h3H2,1-2H3
InChIKey
FKNJDCSKTSRSSW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C(F)(F)F)C
Isomeric Smiles
s1c(c(nc1C)C(F)(F)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5115263
LogD (pH = 7.4)
2.5115266
Log P
2.5115266
Molar Refractivity
47.8668
Polarizability
17.699892
Polar Surface Area
39.19
Rotatable Bonds
4
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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