Molecule

ID:81276

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrClO₂S
Molecular Mass
281.55404
Exact Mass
279.89604011
Charge
0
InChI
InChI=1S/C8H6BrClO2S/c1-6(9)13(11,12)8-4-2-7(10)3-5-8/h2-5H,1H2
InChIKey
HFSNHZMFWNDHDI-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)S(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)C(=C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7292407
LogD (pH = 7.4)
3.7292407
Log P
3.7292407
Molar Refractivity
54.6151
Polarizability
22.680435
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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