Molecule

ID:68979

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClFO₂S
Molecular Mass
208.6377432
Exact Mass
207.97610633
Charge
0
InChI
InChI=1S/C7H6ClFO2S/c1-5-6(9)3-2-4-7(5)12(8,10)11/h2-4H,1H3
InChIKey
WKJLXHQGXSWSCK-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1C)S(=O)(=O)Cl
Isomeric Smiles
c1(c(c(ccc1)F)C)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5756721
LogD (pH = 7.4)
2.5756721
Log P
2.5756721
Molar Refractivity
45.5098
Polarizability
17.94951
Polar Surface Area
34.14
Rotatable Bonds
1
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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