Molecule

ID:22230

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₆O₂S
Molecular Mass
312.6166392
Exact Mass
311.94464734
Charge
0
InChI
InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H
InChIKey
KMEJLLXSUGLEDJ-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1cc(c(cc1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6752458
LogD (pH = 7.4)
3.6752458
Log P
3.6752458
Molar Refractivity
52.1996
Polarizability
19.580381
Polar Surface Area
34.14
Rotatable Bonds
3
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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