Molecule

ID:129649

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O₄S₂
Molecular Mass
228.32954
Exact Mass
228.04900099
Charge
0
InChI
InChI=1S/C7H16O4S2/c1-5-12(8,9)7(3,4)13(10,11)6-2/h5-6H2,1-4H3
InChIKey
CESKLHVYGRFMFP-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)C(S(=O)(=O)CC)(C)C
Isomeric Smiles
O=S(=O)(C(C)(C)S(=O)(=O)CC)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.25464222
LogD (pH = 7.4)
-0.25464222
Log P
-0.25464222
Molar Refractivity
52.6038
Polarizability
22.071964
Polar Surface Area
68.28
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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