Molecule

ID:27352

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₂N₂O₂S
Molecular Mass
241.09504
Exact Mass
239.9527038
Charge
0
InChI
InChI=1S/C6H6Cl2N2O2S/c7-4-1-2-5(8)6(3-4)13(11,12)10-9/h1-3,10H,9H2
InChIKey
NPNJLPUAEPWAIT-UHFFFAOYSA-N
Canonic Smiles
NNS(=O)(=O)c1cc(Cl)ccc1Cl
Isomeric Smiles
S(=O)(=O)(c1cc(ccc1Cl)Cl)NN
Calculated Properties
JChem
Acid pKa
8.22922
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4965423
LogD (pH = 7.4)
1.773116
Log P
1.4908903
Molar Refractivity
52.3096
Polarizability
20.97497
Polar Surface Area
72.19
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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