Molecule

ID:106761

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O₄S₂
Molecular Mass
242.35612
Exact Mass
242.06465106
Charge
0
InChI
InChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3
InChIKey
LKACJLUUJRMGFK-UHFFFAOYSA-N
Canonic Smiles
CCC(S(=O)(=O)CC)(S(=O)(=O)CC)C
Isomeric Smiles
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.3822309
LogD (pH = 7.4)
0.3822309
Log P
0.3822309
Molar Refractivity
57.0726
Polarizability
23.896168
Polar Surface Area
68.28
Rotatable Bonds
5
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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