Molecule

ID:24262

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₄NO₂S
Molecular Mass
243.1787128
Exact Mass
242.99771229
Charge
0
InChI
InChI=1S/C7H5F4NO2S/c8-4-1-2-6(15(12,13)14)5(3-4)7(9,10)11/h1-3H,(H2,12,13,14)
InChIKey
KBGBZUYUQBXKRH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(F)(F)F)S(=O)(=O)N
Isomeric Smiles
c1(c(cc(cc1)F)C(F)(F)F)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
8.516208
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5994565
LogD (pH = 7.4)
1.5715772
Log P
1.599827
Molar Refractivity
44.406
Polarizability
16.945707
Polar Surface Area
60.16
Rotatable Bonds
2
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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