Molecule

ID:6884

General Information
Structure
Molecular Formula
C₆H₃BrClFO₂S
Molecular Mass
273.5072232
Exact Mass
271.87096824
Charge
0
InChI
InChI=1S/C6H3BrClFO2S/c7-4-1-2-6(5(9)3-4)12(8,10)11/h1-3H
InChIKey
XNYBZLRIUHNRQY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)S(=O)(=O)Cl
Isomeric Smiles
c1c(cc(c(c1)S(=O)(=O)Cl)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8310034
LogD (pH = 7.4)
2.8310034
Log P
2.8310034
Molar Refractivity
48.0914
Polarizability
19.317167
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
No Data Available
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Molecule Details
References
Bioactivity
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