Molecule
ID:100855
General Information
Molecular Formula
C₂ClF₃O₃S
Molecular Mass
196.5328096
Exact Mass
195.9208772
Charge
0
InChI
InChI=1S/C2ClF3O3S/c3-10(7,8)9-2(6)1(4)5
InChIKey
WCODVGWFRZCRDF-UHFFFAOYSA-N
Canonic Smiles
FC(=C(F)F)OS(=O)(=O)Cl
Isomeric Smiles
O(C(=C(F)F)F)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5094513
LogD (pH = 7.4)
1.5094513
Log P
1.5094513
Molar Refractivity
46.8618
Polarizability
11.227157
Polar Surface Area
43.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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