Molecule

ID:41612

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₄N₂O₃S
Molecular Mass
338.2780128
Exact Mass
338.03482607
Charge
0
InChI
InChI=1S/C12H10F4N2O3S/c1-18-11(9(6-19)10(17-18)12(14,15)16)22(20,21)8-4-2-7(13)3-5-8/h2-5,19H,6H2,1H3
InChIKey
GTSZMZYXMHEILR-UHFFFAOYSA-N
Canonic Smiles
OCc1c(n(nc1C(F)(F)F)C)S(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
c1(c(c(nn1C)C(F)(F)F)CO)S(=O)(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
13.749565
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0842824
LogD (pH = 7.4)
2.0842824
Log P
2.0842824
Molar Refractivity
80.3809
Polarizability
26.604399
Polar Surface Area
72.19
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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