Molecule

ID:61418

General Information
Structure
MolImage
Molecular Formula
C₃H₆F₃NO₂S
Molecular Mass
177.1454496
Exact Mass
177.0071341
Charge
0
InChI
InChI=1S/C3H6F3NO2S/c4-3(5,6)1-2-10(7,8)9/h1-2H2,(H2,7,8,9)
InChIKey
DNCVSZHNFQLPLX-UHFFFAOYSA-N
Canonic Smiles
FC(CCS(=O)(=O)N)(F)F
Isomeric Smiles
C(CC(F)(F)F)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
10.423545
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22849323
LogD (pH = 7.4)
-0.22886425
Log P
-0.22848849
Molar Refractivity
28.0926
Polarizability
11.47625
Polar Surface Area
60.16
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
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Molecule Details
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References
Bioactivity
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