Molecule

ID:38226

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FNO₄S
Molecular Mass
273.2806832
Exact Mass
273.04710709
Charge
0
InChI
InChI=1S/C11H12FNO4S/c12-9-1-3-10(4-2-9)18(16,17)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKey
FIDOKJCISOZSBN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(C1)S(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(N1CC(C(=O)O)CC1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.3475351
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1838737
LogD (pH = 7.4)
-2.4618099
Log P
0.9537801
Molar Refractivity
61.8526
Polarizability
24.456879
Polar Surface Area
74.68
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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