Molecule

ID:15064

General Information
Structure
MolImage
Molecular Formula
C₃H₄ClF₃O₂S
Molecular Mass
196.5758696
Exact Mass
195.95726271
Charge
0
InChI
InChI=1S/C3H4ClF3O2S/c4-10(8,9)2-1-3(5,6)7/h1-2H2
InChIKey
OXKHPRFGCFJUSK-UHFFFAOYSA-N
Canonic Smiles
FC(CCS(=O)(=O)Cl)(F)F
Isomeric Smiles
C(CC(F)(F)F)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0766051
LogD (pH = 7.4)
1.0766051
Log P
1.0766051
Molar Refractivity
30.1289
Polarizability
12.340199
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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