Molecule

ID:97779

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₂O₂S
Molecular Mass
226.6282064
Exact Mass
225.96668452
Charge
0
InChI
InChI=1S/C7H5ClF2O2S/c8-13(11,12)4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey
JCBYCKNOGYFRDS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)CS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(Cc1c(cc(cc1)F)F)Cl
Calculated Properties
JChem
Acid pKa
16.87584
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9670889
LogD (pH = 7.4)
1.9670889
Log P
1.9670889
Molar Refractivity
45.2724
Polarizability
17.902271
Polar Surface Area
34.14
Rotatable Bonds
2
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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