Molecule

ID:124081

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO₄S
Molecular Mass
247.2434032
Exact Mass
247.03145703
Charge
0
InChI
InChI=1S/C9H10FNO4S/c1-16(14,15)11(6-9(12)13)8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKey
AKSFHQCWQBEFTR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(S(=O)(=O)C)c1cccc(c1)F
Isomeric Smiles
S(=O)(=O)(N(CC(=O)O)c1cc(F)ccc1)C
Calculated Properties
JChem
Acid pKa
3.1167374
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1643515
LogD (pH = 7.4)
-3.2682328
Log P
0.1907463
Molar Refractivity
53.9389
Polarizability
21.561497
Polar Surface Area
74.68
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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