Molecule

ID:97982

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClF₃O₂S
Molecular Mass
258.6452496
Exact Mass
257.97291277
Charge
0
InChI
InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChIKey
RFFCAUGRAMHQSO-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)Cc1ccccc1C(F)(F)F
Isomeric Smiles
S(=O)(=O)(Cc1c(cccc1)C(F)(F)F)Cl
Calculated Properties
JChem
Acid pKa
17.95589
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5595336
LogD (pH = 7.4)
2.5595336
Log P
2.5595336
Molar Refractivity
50.8133
Polarizability
19.660006
Polar Surface Area
34.14
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
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Molecule Details
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References
Bioactivity
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