Molecule

ID:75419

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₄S
Molecular Mass
166.1955
Exact Mass
166.0299798
Charge
0
InChI
InChI=1S/C5H10O4S/c1-3-9-5(6)4-10(2,7)8/h3-4H2,1-2H3
InChIKey
OCCWQCYBCZADCE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(C)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
11.261992
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.8637195
LogD (pH = 7.4)
-0.86377835
Log P
-0.86371875
Molar Refractivity
35.8863
Polarizability
15.026596
Polar Surface Area
60.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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