Molecule

ID:124279

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNO₄S
Molecular Mass
233.2168232
Exact Mass
233.01580696
Charge
0
InChI
InChI=1S/C8H8FNO4S/c1-10-15(13,14)7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12)
InChIKey
NAUQCMNLXQNWRK-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1cc(ccc1F)C(=O)O
Isomeric Smiles
S(=O)(=O)(c1cc(C(=O)O)ccc1F)NC
Calculated Properties
JChem
Acid pKa
3.9159052
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9873301
LogD (pH = 7.4)
-2.6192253
Log P
0.6032375
Molar Refractivity
50.5852
Polarizability
19.702787
Polar Surface Area
83.47
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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