Molecule

ID:9194

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃OS
Molecular Mass
194.1742096
Exact Mass
194.00132044
Charge
0
InChI
InChI=1S/C7H5F3OS/c8-7(9,10)11-5-3-1-2-4-6(5)12/h1-4,12H
InChIKey
CIIRSPLZNQRPGX-UHFFFAOYSA-N
Canonic Smiles
Sc1ccccc1OC(F)(F)F
Isomeric Smiles
c1ccc(c(c1)S)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
4.8888893
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.853192
LogD (pH = 7.4)
2.104315
Log P
3.4975646
Molar Refractivity
37.1381
Polarizability
15.296866
Polar Surface Area
9.23
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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