Molecule

ID:29744

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₆S₂
Molecular Mass
356.41394
Exact Mass
356.03883023
Charge
0
InChI
InChI=1S/C15H16O6S2/c1-12-3-7-14(8-4-12)22(16,17)20-11-21-23(18,19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey
LEXULLPDKRNGQG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)OCOS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
c1c(ccc(c1)S(=O)(=O)OCOS(=O)(=O)c1ccc(cc1)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.0296454
LogD (pH = 7.4)
4.0296454
Log P
4.0296454
Molar Refractivity
85.2485
Polarizability
35.01415
Polar Surface Area
86.74
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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