Molecule

ID:30230

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO₅S
Molecular Mass
263.2428032
Exact Mass
263.02637165
Charge
0
InChI
InChI=1S/C9H10FNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-8(5-12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)
InChIKey
SKHNUHDOTJKEAO-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)O)NS(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)CO)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
2.7131107
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.769917
LogD (pH = 7.4)
-3.5564964
Log P
-0.05450783
Molar Refractivity
55.4512
Polarizability
22.242006
Polar Surface Area
103.7
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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