Molecule

ID:6546

General Information
Structure
Molecular Formula
C₆H₂BrClF₂O₂S
Molecular Mass
291.4976864
Exact Mass
289.86154642
Charge
0
InChI
InChI=1S/C6H2BrClF2O2S/c7-3-1-6(13(8,11)12)5(10)2-4(3)9/h1-2H
InChIKey
GSNAPAYUOACKRN-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(cc1S(=O)(=O)Cl)Br
Isomeric Smiles
c1(c(cc(c(c1)F)S(=O)(=O)Cl)Br)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9737053
LogD (pH = 7.4)
2.9737053
Log P
2.9737053
Molar Refractivity
48.3078
Polarizability
19.266819
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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