Molecule

ID:99876

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₃FO₂S
Molecular Mass
263.5012832
Exact Mass
261.88251156
Charge
0
InChI
InChI=1S/C6H2Cl3FO2S/c7-3-1-4(8)6(2-5(3)10)13(9,11)12/h1-2H
InChIKey
ZCMMZABUTDMFDX-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(cc1S(=O)(=O)Cl)F
Isomeric Smiles
S(=O)(=O)(c1c(cc(c(c1)F)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2703402
LogD (pH = 7.4)
3.2703402
Log P
3.2703402
Molar Refractivity
50.0782
Polarizability
20.247494
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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