Molecule

ID:112890

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNOS
Molecular Mass
235.2773032
Exact Mass
235.04671317
Charge
0
InChI
InChI=1S/C12H10FNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKey
GIOHCCCZFNTYNL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nc(c(s1)C(=O)C)C
Isomeric Smiles
c1(sc(nc1C)c1ccc(cc1)F)C(=O)C
Calculated Properties
JChem
Acid pKa
14.81077
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.620953
LogD (pH = 7.4)
2.6209676
Log P
2.6209679
Molar Refractivity
71.3628
Polarizability
23.563251
Polar Surface Area
29.96
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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