Molecule

ID:122081

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FN₂O₂S₂
Molecular Mass
286.3456432
Exact Mass
286.02459782
Charge
0
InChI
InChI=1S/C11H11FN2O2S2/c12-7-3-1-2-4-9(7)14-10-6-18(15,16)5-8(10)13-11(14)17/h1-4,8,10H,5-6H2,(H,13,17)
InChIKey
HJEYAXKTAGZZNO-UHFFFAOYSA-N
Canonic Smiles
SC1=NC2C(N1c1ccccc1F)CS(=O)(=O)C2
Isomeric Smiles
N1(C(=NC2C1CS(=O)(=O)C2)S)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
6.451471
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3136333
LogD (pH = 7.4)
0.5761079
Log P
1.3562058
Molar Refractivity
68.5675
Polarizability
26.960705
Polar Surface Area
49.74
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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