Molecule

ID:14698

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO₄S
Molecular Mass
247.2434032
Exact Mass
247.03145703
Charge
0
InChI
InChI=1S/C9H10FNO4S/c1-11(6-9(12)13)16(14,15)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKey
LWYIAFIJPSFZQQ-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)c1ccc(cc1)F)CC(=O)O
Isomeric Smiles
c1(S(=O)(=O)N(CC(=O)O)C)ccc(cc1)F
Calculated Properties
JChem
Acid pKa
2.8165557
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9791532
LogD (pH = 7.4)
-2.8454113
Log P
0.64731395
Molar Refractivity
54.3103
Polarizability
21.53244
Polar Surface Area
74.68
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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