Molecule

ID:59994

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₃S
Molecular Mass
293.2622096
Exact Mass
293.03334885
Charge
0
InChI
InChI=1S/C11H10F3NO3S/c12-11(13,14)18-8-4-2-1-3-6(8)9-15-7(5-19-9)10(16)17/h1-4,7,9,15H,5H2,(H,16,17)
InChIKey
HRJWRKHYLMJACA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CSC(N1)c1ccccc1OC(F)(F)F
Isomeric Smiles
C1(NC(C(=O)O)CS1)c1c(OC(F)(F)F)cccc1
Calculated Properties
JChem
Acid pKa
2.682744
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.98851055
LogD (pH = 7.4)
0.009010691
Log P
1.0626469
Molar Refractivity
58.3417
Polarizability
24.078852
Polar Surface Area
58.56
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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