Molecule

ID:75242

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂O₄S₂
Molecular Mass
351.22552
Exact Mass
349.9241061
Charge
0
InChI
InChI=1S/C12H8Cl2O4S2/c13-19(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(14,17)18/h1-8H
InChIKey
OTFAWEIFBPUXOH-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)c1ccc(cc1)S(=O)(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.5130773
LogD (pH = 7.4)
3.5130773
Log P
3.5130773
Molar Refractivity
79.5826
Polarizability
33.377224
Polar Surface Area
68.28
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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