Molecule

ID:22538

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂O₂S
Molecular Mass
266.2913432
Exact Mass
266.05252682
Charge
0
InChI
InChI=1S/C12H11FN2O2S/c13-11-8-10(6-7-12(11)15-14)18(16,17)9-4-2-1-3-5-9/h1-8,15H,14H2
InChIKey
FLIPMBYDWSILOA-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1F)S(=O)(=O)c1ccccc1
Isomeric Smiles
N(N)c1ccc(cc1F)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.414898
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4358287
LogD (pH = 7.4)
2.461725
Log P
2.462425
Molar Refractivity
69.5133
Polarizability
26.627695
Polar Surface Area
72.19
Rotatable Bonds
3
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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