Molecule

ID:86941

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂O₄S₂
Molecular Mass
275.12956
Exact Mass
273.89280597
Charge
0
InChI
InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H
InChIKey
ALIQZUMMPOYCIS-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cccc(c1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cccc(c1)S(=O)(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8658519
LogD (pH = 7.4)
1.8658519
Log P
1.8658519
Molar Refractivity
54.4464
Polarizability
22.6797
Polar Surface Area
68.28
Rotatable Bonds
2
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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