Molecule

ID:93178

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃OS
Molecular Mass
208.2007896
Exact Mass
208.0169705
Charge
0
InChI
InChI=1S/C8H7F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChIKey
KCWQNXIWNNTUIJ-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)SC(F)(F)F
Isomeric Smiles
OCc1ccc(cc1)SC(F)(F)F
Calculated Properties
JChem
Acid pKa
14.923902
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1746223
LogD (pH = 7.4)
3.1746223
Log P
3.1746223
Molar Refractivity
45.8594
Polarizability
17.042746
Polar Surface Area
20.23
Rotatable Bonds
3
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
References
Bioactivity
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