Molecule

ID:44676

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₃FO₃S
Molecular Mass
355.5966432
Exact Mass
353.90872631
Charge
0
InChI
InChI=1S/C12H6Cl3FO3S/c13-7-5-10(14)12(11(15)6-7)19-20(17,18)9-3-1-8(16)2-4-9/h1-6H
InChIKey
KCXQJFBOZVITBG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)S(=O)(=O)Oc1c(Cl)cc(cc1Cl)Cl
Isomeric Smiles
S(=O)(=O)(Oc1c(cc(cc1Cl)Cl)Cl)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1449075
LogD (pH = 7.4)
5.1449075
Log P
5.1449075
Molar Refractivity
75.5712
Polarizability
30.32699
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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