Molecule

ID:117118

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₈S₂
Molecular Mass
380.4338
Exact Mass
380.0599596
Charge
0
InChI
InChI=1S/C14H20O8S2/c1-23(15,16)21-10-14(11-22-24(2,17)18)8-19-13(20-9-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKey
KWJVLSILDWFFFY-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)OCC1(COS(=O)(=O)C)COC(OC1)c1ccccc1
Isomeric Smiles
S(=O)(=O)(OCC1(COC(OC1)c1ccccc1)COS(=O)(=O)C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
0.29882118
LogD (pH = 7.4)
0.29882118
Log P
0.29882118
Molar Refractivity
84.1163
Polarizability
35.6468
Polar Surface Area
105.2
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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