Molecule

ID:8489

General Information
Structure
MolImage
Molecular Formula
C₂H₃F₃O₃S
Molecular Mass
164.1036296
Exact Mass
163.97549962
Charge
0
InChI
InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
InChIKey
OIRDBPQYVWXNSJ-UHFFFAOYSA-N
Canonic Smiles
COS(=O)(=O)C(F)(F)F
Isomeric Smiles
S(=O)(=O)(C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5259978
LogD (pH = 7.4)
1.5259978
Log P
1.5259978
Molar Refractivity
21.4642
Polarizability
9.433094
Polar Surface Area
43.37
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
References
Bioactivity
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