Molecule

ID:98731

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉F₃O₂S
Molecular Mass
274.2588696
Exact Mass
274.02753519
Charge
0
InChI
InChI=1S/C12H9F3O2S/c1-2-17-11(16)10-6-7-8(12(13,14)15)4-3-5-9(7)18-10/h3-6H,2H2,1H3
InChIKey
ORQOUGLBASAKIZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc2c(c1)c(ccc2)C(F)(F)F
Isomeric Smiles
FC(c1c2c(ccc1)sc(c2)C(=O)OCC)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2198434
LogD (pH = 7.4)
4.2198434
Log P
4.2198434
Molar Refractivity
61.9298
Polarizability
23.903059
Polar Surface Area
26.3
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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