Molecule

ID:8216

General Information
Structure
Molecular Formula
C₃H₅F₃O₃S
Molecular Mass
178.1302096
Exact Mass
177.99114968
Charge
0
InChI
InChI=1S/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
InChIKey
ICECLJDLAVVEOW-UHFFFAOYSA-N
Canonic Smiles
FC(COS(=O)(=O)C)(F)F
Isomeric Smiles
S(=O)(=O)(OCC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.37268338
LogD (pH = 7.4)
0.37268338
Log P
0.37268338
Molar Refractivity
26.4639
Polarizability
11.130979
Polar Surface Area
43.37
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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