Molecule

ID:11807

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₅O₃S
Molecular Mass
240.148416
Exact Mass
239.98795612
Charge
0
InChI
InChI=1S/C5H5F5O3S/c1-2-3-13-4(6,7)5(8,9)14(10,11)12/h2H,1,3H2
InChIKey
IMNCTHAFGYFIOE-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(C(S(=O)(=O)F)(F)F)(F)F
Isomeric Smiles
C(C(F)(OCC=C)F)(S(=O)(=O)F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2810955
LogD (pH = 7.4)
2.2810955
Log P
2.2810955
Molar Refractivity
37.2288
Polarizability
14.409585
Polar Surface Area
43.37
Rotatable Bonds
5
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
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References
Bioactivity
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