Molecule

ID:59431

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClO₂S₂
Molecular Mass
232.7071
Exact Mass
231.94194908
Charge
0
InChI
InChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKey
FKIIVBOPAHICHQ-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cc2c(s1)cccc2
Isomeric Smiles
S(=O)(=O)(c1sc2c(c1)cccc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9615695
LogD (pH = 7.4)
2.9615695
Log P
2.9615695
Molar Refractivity
52.7522
Polarizability
22.576273
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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