Molecule

ID:93440

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₅OS
Molecular Mass
232.171016
Exact Mass
231.99812688
Charge
0
InChI
InChI=1S/C7H5F5OS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-5H
InChIKey
OTOYBKNIUCEPMV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)S(F)(F)(F)(F)F
Isomeric Smiles
S(c1ccc(cc1)C=O)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6047
LogD (pH = 7.4)
3.6047
Log P
3.6047
Molar Refractivity
45.3206
Polarizability
15.96854
Polar Surface Area
17.07
Rotatable Bonds
2
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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