Molecule

ID:19138

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂FO₂S
Molecular Mass
229.0562232
Exact Mass
227.92148392
Charge
0
InChI
InChI=1S/C6H3Cl2FO2S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3H
InChIKey
OZKAHSNNKADHTK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)S(=O)(=O)Cl)F
Isomeric Smiles
c1(ccc(c(c1)S(=O)(=O)Cl)F)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
18.195835
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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