Molecule

ID:9127

General Information
Structure
MolImage
Molecular Formula
C₃H₃F₅O₃S
Molecular Mass
214.111136
Exact Mass
213.97230606
Charge
0
InChI
InChI=1S/C3H3F5O3S/c4-2(5)1-11-12(9,10)3(6,7)8/h2H,1H2
InChIKey
NKULBUOBGILEAR-UHFFFAOYSA-N
Canonic Smiles
FC(COS(=O)(=O)C(F)(F)F)F
Isomeric Smiles
S(=O)(=O)(C(F)(F)F)OCC(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9923335
LogD (pH = 7.4)
1.9923335
Log P
1.9923335
Molar Refractivity
26.0246
Polarizability
11.289987
Polar Surface Area
43.37
Rotatable Bonds
4
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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