Molecule

ID:6572

General Information
Structure
Molecular Formula
C₆H₂BrClF₂O₂S
Molecular Mass
291.4976864
Exact Mass
289.86154642
Charge
0
InChI
InChI=1S/C6H2BrClF2O2S/c7-3-1-5(10)6(2-4(3)9)13(8,11)12/h1-2H
InChIKey
SBMKFWMFNIEPDN-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(c(cc1Br)F)S(=O)(=O)Cl
Isomeric Smiles
c1(c(cc(c(c1)F)S(=O)(=O)Cl)F)Br
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
19.267889
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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