Molecule

ID:56042

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂O₂S₂
Molecular Mass
269.12828
Exact Mass
267.89347467
Charge
0
InChI
InChI=1S/C6H2Cl2N2O2S2/c7-3-1-2-4-5(10-13-9-4)6(3)14(8,11)12/h1-2H
InChIKey
JLRRVYGVTOFMCM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1S(=O)(=O)Cl)nsn2
Isomeric Smiles
c1cc2c(c(c1Cl)S(=O)(=O)Cl)nsn2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6672225
LogD (pH = 7.4)
2.6672225
Log P
2.6672225
Molar Refractivity
55.5394
Polarizability
22.941631
Polar Surface Area
59.92
Rotatable Bonds
1
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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