Molecule

ID:106950

General Information
Structure
Molecular Formula
C₆H₁₄O₄S₂
Molecular Mass
214.30296
Exact Mass
214.03335093
Charge
0
InChI
InChI=1S/C6H14O4S2/c1-3-11(7,8)5-6-12(9,10)4-2/h3-6H2,1-2H3
InChIKey
JCKAPFIQSHKDSQ-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)CCS(=O)(=O)CC
Isomeric Smiles
CCS(=O)(=O)CCS(=O)(=O)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.4510957
LogD (pH = 7.4)
-1.4510957
Log P
-1.4510957
Molar Refractivity
47.435
Polarizability
20.250967
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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