Molecule

ID:19187

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClO₂S₂
Molecular Mass
196.675
Exact Mass
195.94194908
Charge
0
InChI
InChI=1S/C5H5ClO2S2/c1-4-2-3-5(9-4)10(6,7)8/h2-3H,1H3
InChIKey
QGGRRHYGHGJEKP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1sc(cc1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5118475
LogD (pH = 7.4)
2.5118475
Log P
2.5118475
Molar Refractivity
41.5742
Polarizability
16.964611
Polar Surface Area
34.14
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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