Molecule

ID:96656

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO₂S₂
Molecular Mass
247.3096032
Exact Mass
247.01369879
Charge
0
InChI
InChI=1S/C9H10FNO2S2/c10-8-3-1-7(2-4-8)5-15(12,13)6-9(11)14/h1-4H,5-6H2,(H2,11,14)
InChIKey
AXJXBGORVIHNEY-UHFFFAOYSA-N
Canonic Smiles
NC(=S)CS(=O)(=O)Cc1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(CC(=S)N)Cc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
4.5576468
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.24827874
LogD (pH = 7.4)
-1.8169974
Log P
0.7358705
Molar Refractivity
60.9277
Polarizability
24.285603
Polar Surface Area
60.16
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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