Molecule

ID:95009

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₄O₂S
Molecular Mass
262.6091328
Exact Mass
261.9478409
Charge
0
InChI
InChI=1S/C7H3ClF4O2S/c8-15(13,14)6-3-4(7(10,11)12)1-2-5(6)9/h1-3H
InChIKey
XTHDSFNKYHMRFZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1S(=O)(=O)Cl)C(F)(F)F
Isomeric Smiles
Fc1c(cc(cc1)C(F)(F)F)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9400992
LogD (pH = 7.4)
2.9400992
Log P
2.9400992
Molar Refractivity
46.4423
Polarizability
17.798506
Polar Surface Area
34.14
Rotatable Bonds
2
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
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References
Bioactivity
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