Molecule

ID:10291

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂O₅S₂
Molecular Mass
367.22492
Exact Mass
365.91902072
Charge
0
InChI
InChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H
InChIKey
HJKXLQIPODSWMB-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
c1c(ccc(c1)Oc1ccc(cc1)S(=O)(=O)Cl)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3661392
LogD (pH = 7.4)
3.3661392
Log P
3.3661392
Molar Refractivity
80.6872
Polarizability
32.88793
Polar Surface Area
77.51
Rotatable Bonds
4
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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