Molecule

ID:77512

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₄S
Molecular Mass
255.29022
Exact Mass
255.0565289
Charge
0
InChI
InChI=1S/C11H13NO4S/c13-9-10-3-1-2-4-11(10)17(14,15)12-5-7-16-8-6-12/h1-4,9H,5-8H2
InChIKey
GSDGTTZDQFKUBA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1S(=O)(=O)N1CCOCC1
Isomeric Smiles
S(=O)(=O)(N1CCOCC1)c1c(cccc1)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.5206306
LogD (pH = 7.4)
0.5206306
Log P
0.5206306
Molar Refractivity
63.6678
Polarizability
24.896935
Polar Surface Area
63.68
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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