Molecule
ID:95788
General Information
Molecular Formula
C₅H₅F₃N₂O₂S
Molecular Mass
214.1656096
Exact Mass
214.00238307
Charge
0
InChI
InChI=1S/C5H5F3N2O2S/c1-13(11,12)10-3-2-4(9-10)5(6,7)8/h2-3H,1H3
InChIKey
YAECRYDWMCMVLM-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccn(n1)S(=O)(=O)C)(F)F
Isomeric Smiles
n1(S(=O)(=O)C)nc(C(F)(F)F)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.3559765
LogD (pH = 7.4)
0.35597652
Log P
0.35597652
Molar Refractivity
38.2184
Polarizability
14.797191
Polar Surface Area
51.96
Rotatable Bonds
1
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
No Data Available
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Related Proteins
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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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