Molecule

ID:14449

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂O₂S
Molecular Mass
266.2913432
Exact Mass
266.05252682
Charge
0
InChI
InChI=1S/C12H11FN2O2S/c13-9-4-6-12(7-5-9)18(16,17)15-11-3-1-2-10(14)8-11/h1-8,15H,14H2
InChIKey
MGYRPTXKLDYADH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)N
Isomeric Smiles
c1(S(=O)(=O)Nc2cc(ccc2)N)ccc(cc1)F
Calculated Properties
JChem
Acid pKa
7.954079
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7606122
LogD (pH = 7.4)
1.681215
Log P
1.774687
Molar Refractivity
67.807
Polarizability
26.030384
Polar Surface Area
72.19
Rotatable Bonds
2
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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