Molecule

ID:120420

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O₆S
Molecular Mass
278.32202
Exact Mass
278.0824093
Charge
0
InChI
InChI=1S/C11H18O6S/c1-3-16-10(12)9(11(13)17-4-2)8-5-6-18(14,15)7-8/h8-9H,3-7H2,1-2H3
InChIKey
ZRZIZOUPRLJLLK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C1CCS(=O)(=O)C1)C(=O)OCC
Isomeric Smiles
S1(=O)(=O)CC(C(C(=O)OCC)C(=O)OCC)CC1
Calculated Properties
JChem
Acid pKa
13.810565
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.3614132
LogD (pH = 7.4)
-0.3614134
Log P
-0.3614132
Molar Refractivity
63.9731
Polarizability
26.13745
Polar Surface Area
86.74
Rotatable Bonds
7
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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