Molecule

ID:28496

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂O₄S₂
Molecular Mass
275.12956
Exact Mass
273.89280597
Charge
0
InChI
InChI=1S/C6H4Cl2O4S2/c1-12-6(9)5-3(14(8,10)11)2-4(7)13-5/h2H,1H3
InChIKey
GDKPWFMFFKPATJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(cc1S(=O)(=O)Cl)Cl
Isomeric Smiles
c1(c(sc(c1)Cl)C(=O)OC)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6059477
LogD (pH = 7.4)
2.6059477
Log P
2.6059477
Molar Refractivity
53.1321
Polarizability
21.83446
Polar Surface Area
60.44
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
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Molecule Details
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References
Bioactivity
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