Molecule

ID:6641

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClF₃O₃S
Molecular Mass
339.5141296
Exact Mass
337.8626893
Charge
0
InChI
InChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(16(9,13)14)5(3-4)15-7(10,11)12/h1-3H
InChIKey
ZZCIRIWJHAZTIW-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cc(Br)ccc1S(=O)(=O)Cl)(F)F
Isomeric Smiles
c1cc(cc(c1S(=O)(=O)Cl)OC(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.119413
LogD (pH = 7.4)
4.119413
Log P
4.119413
Molar Refractivity
50.9453
Polarizability
21.872824
Polar Surface Area
43.37
Rotatable Bonds
3
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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