Molecule

ID:98426

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃OS
Molecular Mass
206.1849096
Exact Mass
206.00132044
Charge
0
InChI
InChI=1S/C8H5F3OS/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H
InChIKey
JQSKYLMRBFOYTR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1SC(F)(F)F
Isomeric Smiles
S(c1c(cccc1)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6544745
LogD (pH = 7.4)
3.6544745
Log P
3.6544745
Molar Refractivity
45.6275
Polarizability
16.510023
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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