Molecule

ID:42287

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂O₂S
Molecular Mass
225.09234
Exact Mass
223.94655579
Charge
0
InChI
InChI=1S/C7H6Cl2O2S/c8-5-12(10,11)7-3-1-6(9)2-4-7/h1-4H,5H2
InChIKey
SAOGOJANGOKVRG-UHFFFAOYSA-N
Canonic Smiles
ClCS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)CCl
Calculated Properties
JChem
Acid pKa
18.988638
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1909692
LogD (pH = 7.4)
2.1909692
Log P
2.1909692
Molar Refractivity
48.957
Polarizability
20.126928
Polar Surface Area
34.14
Rotatable Bonds
2
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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