Molecule

ID:7463

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂FO₂S
Molecular Mass
229.0562232
Exact Mass
227.92148392
Charge
0
InChI
InChI=1S/C6H3Cl2FO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H
InChIKey
FCFPJKHVCHKCMP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c(cc(cc1)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6662955
LogD (pH = 7.4)
2.6662955
Log P
2.6662955
Molar Refractivity
45.2734
Polarizability
18.225077
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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