Molecule

ID:71461

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂FO₂S
Molecular Mass
243.0828032
Exact Mass
241.93713398
Charge
0
InChI
InChI=1S/C7H5Cl2FO2S/c8-7-3-6(10)2-1-5(7)4-13(9,11)12/h1-3H,4H2
InChIKey
CGJQTABGNOEWSS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)CS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(Cc1c(cc(cc1)F)Cl)Cl
Calculated Properties
JChem
Acid pKa
17.632774
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4284317
LogD (pH = 7.4)
2.4284317
Log P
2.4284317
Molar Refractivity
49.8608
Polarizability
20.034164
Polar Surface Area
34.14
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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