Molecule

ID:77550

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂O₆S₂
Molecular Mass
232.27518
Exact Mass
232.0075301
Charge
0
InChI
InChI=1S/C5H12O6S2/c6-1-3-12(8,9)5-13(10,11)4-2-7/h6-7H,1-5H2
InChIKey
FBKUSAIWUANQNH-UHFFFAOYSA-N
Canonic Smiles
OCCS(=O)(=O)CS(=O)(=O)CCO
Isomeric Smiles
S(=O)(=O)(CCO)CS(=O)(=O)CCO
Calculated Properties
JChem
Acid pKa
14.59366
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-3.2838461
LogD (pH = 7.4)
-3.2838461
Log P
-3.2838461
Molar Refractivity
44.9391
Polarizability
19.844538
Polar Surface Area
108.74
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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