Molecule

ID:90268

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrCl₂O₂S
Molecular Mass
289.96182
Exact Mass
287.8414177
Charge
0
InChI
InChI=1S/C6H3BrCl2O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
InChIKey
FSNCFUWFJZQPTR-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1Cl)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)Br)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2923462
LogD (pH = 7.4)
3.2923462
Log P
3.2923462
Molar Refractivity
52.6798
Polarizability
21.426981
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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