Molecule

ID:77503

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀O₄S₂
Molecular Mass
352.4683
Exact Mass
352.08030112
Charge
0
InChI
InChI=1S/C17H20O4S2/c1-14-4-6-15(7-5-14)23(18,19)21-13-17(8-10-20-11-9-17)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3
InChIKey
OZWQPINOYPXHPX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)OCC1(CCOCC1)c1cccs1
Isomeric Smiles
O1CCC(c2cccs2)(CC1)COS(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8920076
LogD (pH = 7.4)
3.8920076
Log P
3.8920076
Molar Refractivity
90.8805
Polarizability
36.202137
Polar Surface Area
52.6
Rotatable Bonds
5
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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