Molecule

ID:116154

General Information
Structure
Molecular Formula
C₁₃H₁₀FNO₄S
Molecular Mass
295.2862032
Exact Mass
295.03145703
Charge
0
InChI
InChI=1S/C13H10FNO4S/c14-9-5-7-10(8-6-9)15-20(18,19)12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)
InChIKey
KSVPTRFUYYNJLY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NS(=O)(=O)c1ccccc1C(=O)O
Isomeric Smiles
S(=O)(=O)(c1c(C(=O)O)cccc1)Nc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
2.1548705
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.8662683
LogD (pH = 7.4)
-1.3574836
Log P
2.261196
Molar Refractivity
70.3628
Polarizability
27.303932
Polar Surface Area
83.47
Rotatable Bonds
3
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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