Molecule

ID:18591

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂O₂S
Molecular Mass
239.11892
Exact Mass
237.96220586
Charge
0
InChI
InChI=1S/C8H8Cl2O2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3
InChIKey
JBYZPUBAISWVDI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(c(cc1Cl)C)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1C)Cl)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5504363
LogD (pH = 7.4)
3.5504363
Log P
3.5504363
Molar Refractivity
55.1394
Polarizability
21.856548
Polar Surface Area
34.14
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
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Molecule Details
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References
Bioactivity
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