Molecule

ID:41575

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂O₂S
Molecular Mass
266.2913432
Exact Mass
266.05252682
Charge
0
InChI
InChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)7-17-10-5-6-18-11(10)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKey
IGMHWXQGJIIXIX-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1sccc1OCc1ccc(cc1)F
Isomeric Smiles
c1(C(=O)NN)c(ccs1)OCc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
13.132387
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1492343
LogD (pH = 7.4)
2.1497877
Log P
2.1497955
Molar Refractivity
67.8026
Polarizability
25.111334
Polar Surface Area
64.35
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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