Molecule

ID:106219

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O₃S
Molecular Mass
194.29172
Exact Mass
194.09766544
Charge
0
InChI
InChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKey
WLGDAKIJYPIYLR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCS(=O)(=O)O
Isomeric Smiles
CCCCCCCCS(=O)(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.08
LogD (pH = 5.5)
-0.08
Log P
2.29
Rotatable Bonds
7
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-0.43
Polar Surface Area
54.37
Polarizability
21.77
Molar Refractivity
48.93
LOG S
-2.70
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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