Molecule

ID:96006

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FNO₅S
Molecular Mass
277.2693832
Exact Mass
277.04202171
Charge
0
InChI
InChI=1S/C10H12FNO5S/c1-6(10(13)14)12-18(15,16)7-3-4-9(17-2)8(11)5-7/h3-6,12H,1-2H3,(H,13,14)
InChIKey
SEVGJWBMUZWLFE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)S(=O)(=O)NC(C(=O)O)C
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)OC)F)NC(C(=O)O)C
Calculated Properties
JChem
Acid pKa
2.5926414
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.9802189
LogD (pH = 7.4)
-2.674622
Log P
0.83473086
Molar Refractivity
60.3707
Polarizability
24.096563
Polar Surface Area
92.7
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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