Molecule

ID:34192

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₅S₂
Molecular Mass
291.34392
Exact Mass
291.02351452
Charge
0
InChI
InChI=1S/C10H13NO5S2/c1-15-10(12)9-8(2-7-17-9)18(13,14)11-3-5-16-6-4-11/h2,7H,3-6H2,1H3
InChIKey
SJAMQADHULAEBR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1S(=O)(=O)N1CCOCC1
Isomeric Smiles
s1c(c(cc1)S(=O)(=O)N1CCOCC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.7244866
LogD (pH = 7.4)
0.7244866
Log P
0.7244866
Molar Refractivity
65.999
Polarizability
26.272758
Polar Surface Area
72.91
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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