Molecule

ID:10256

General Information
Structure
MolImage
Molecular Formula
C₄H₄ClNO₂S₂
Molecular Mass
197.66306
Exact Mass
196.93719805
Charge
0
InChI
InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
InChIKey
RKLQLYBJAZBSEU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)S(=O)(=O)N
Isomeric Smiles
s1c(ccc1Cl)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
8.263385
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2950923
LogD (pH = 7.4)
1.2467386
Log P
1.2957551
Molar Refractivity
38.4463
Polarizability
16.446253
Polar Surface Area
60.16
Rotatable Bonds
1
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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