Molecule

ID:105884

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClFN₂O₂S
Molecular Mass
252.6936032
Exact Mass
252.01355447
Charge
0
InChI
InChI=1S/C8H9FN2O2S.ClH/c9-14(12,13)5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey
KHLLRHIUKOJXLL-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(cc1)CS(=O)(=O)F.Cl
Isomeric Smiles
Cl.NC(=N)c1ccc(CS(=O)(=O)F)cc1
Calculated Properties
JChem
Acid pKa
18.330584
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.1007767
LogD (pH = 7.4)
-2.0916345
Log P
0.31456432
Molar Refractivity
61.8771
Polarizability
19.854534
Polar Surface Area
84.01
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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